SCHEMBL8827770

SCHEMBL8827770

CCOc1cc([N+](=O)[O-])c2c(c1)[C@]1(C)CCN(C)C1N2C

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACHE P22303 17/20 0.46
BCHE P06276 11/20 0.46
KDM4E B2RXH2 4/20 0.43
CYP2D6 P10635 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
KMT2A Q03164 1/20 0.43
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
PTGS1 P23219 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
BLM P54132 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MTOR P42345 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL8827765 1.00 ACHE (0.46) ACHEBCHEKDM4ECYP2D6MEN1
SCHEMBL2456592 0.89 ACHE (0.48) ACHEBCHEKDM4ECYP2D6MEN1
SCHEMBL2456588 0.89 ACHE (0.48) ACHEBCHEKDM4ECYP2D6MEN1
SCHEMBL2453700 0.85 ACHE (0.49) ACHEBCHEKDM4ECYP2D6MEN1
SCHEMBL2598910 0.85 ACHE (0.49) ACHEBCHEKDM4ECYP2D6MEN1
SCHEMBL2453702 0.85 ACHE (0.49) ACHEBCHEKDM4ECYP2D6MEN1
SCHEMBL9727221 0.83 KDM4E (0.46) ACHEBCHEKDM4ECYP2D6MEN1
SCHEMBL2460071 0.82 ACHE (0.52) ACHEBCHEKDM4ECYP2D6MEN1
SCHEMBL2598838 0.82 ACHE (0.52) ACHEBCHEKDM4ECYP2D6MEN1
SCHEMBL10660834 0.82 ACHE (0.52) ACHEBCHEKDM4ECYP2D6MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5663190-A INHIBITORS OF ACETYLCHOLINESTERASE, TREATMENT OF ALZHEIMER*S DISEASE HOECHST MARION ROUSSEL, INC. (US) 1997-09-02 US disclosed
US-5639892-A ANTIDEPRESSANTS, ALZHEIMER'S DISEASE HOECHST-MARION-ROUSSEL, INC. (US) 1997-06-17 US disclosed
US-5621114-A REACTING A THIO OR PHENOL COMPOUND WITH 1,1-CARBONYLIMIDAZOLE OR 1,1-THIOCARBONYLDIIMIDAZOLE, REACTING THE INTERMEDIATE WITH SECONDARY AMINE COMPOUND; USEFUL AS ANALGESIC AND MEMORY ENHANCING AGENT HOECHST MARION ROUSSEL, INC. (US) 1997-04-15 US disclosed
US-5550254-A REACTING CARBOXYLIC ACID WITH CARBONYLDIIMIDAZOLE OR THIOCARBONYLDIIMIDAZOLE, ADDING PHENOL OR THIOPHENOL COMPOUND HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
US-5550253-A REACTING PHENOL OR THIOPHENOL DERIVATIVE WITH LOWER ALKYL P-TOLUENESULFONATE, OPTIONALLY REDUCING NITRO GROUPS TO AMINO GROUPS AND ACYLATING OR ALKYLATING THEM HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-27 US disclosed
US-5547977-A Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8(and 1,3A,8)-di (and Tri) methylpyrrolo (2,3-B) indoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-08-20 US disclosed
US-5541340-A Method of preparing 1,2,3,3a,8,8a-hexahydro-3a,8(and 1,3a,8)-Di(and Tri)methylpyrrolo[2,3,-b] indoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-07-30 US disclosed
US-5541216-A Memory enhancing and analgsic 1,2,3,3A,8,8A-Hexahydro--3A, 8(And1,3A,8)-Di (and Tri) Methylpyrrolo(2,3-B Indoles HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1996-07-30 US disclosed
US-5187165-A Eseroline derivatives; cholinergic agents; antidepressants HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1993-02-16 US disclosed
US-4791107-A Memory enhancing and analgesic 1,2,3,3A,8,8A-hexahydro-3A,8 (and) 1,3A,8)-di(and tri)methylpyrrolo(2,3-B)indoles, compositions and use HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-12-13 US disclosed
EP-0253372-A2 1,2,3,3a,8,8a-Hexahydro-1,3a,8-trimethylpyrrolo[2,3-b]indoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1988-01-20 EP disclosed