SCHEMBL8456714

SCHEMBL8456714

CC(C)(C(=O)O)c1ccccc1C(O)CCCN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 6/20 0.73
▸ KCNH2 Q12809 4/20 0.73
▸ LMNA P02545 3/20 0.73
▸ DRD3 P35462 3/20 0.73
▸ HTR2A P28223 2/20 0.73
▸ HTR2B P41595 2/20 0.73
▸ BLM P54132 2/20 0.73
▸ CNR1 P21554 1/20 0.73
▸ APEX1 P27695 1/20 0.73
▸ PDE4A P27815 1/20 0.73
▸ PDE3A Q14432 1/20 0.73
▸ DRD2 P14416 2/20 0.72
▸ ALOX15 P16050 1/20 0.72
▸ HSD17B10 Q99714 1/20 0.72
▸ CYP2J2 P51589 5/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ NPC1 O15118 1/20 0.63
▸ CACNA1F O60840 1/20 0.63
▸ GMNN O75496 1/20 0.63
▸ USP2 O75604 1/20 0.63

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
Hydrochloric Acid SCHEMBL8454720 0.99 HRH1 (0.74) HRH1KCNH2LMNADRD3HTR2A
Hydrochloric Acid SCHEMBL8454992 0.98 HRH1 (0.72) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL8678278 0.92 HRH1 (0.68) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL29120622 0.91 HRH1 (0.64) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL10526656 0.89 HRH1 (0.71) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL2456709 0.86 HRH1 (0.74) HRH1KCNH2LMNADRD3HTR2A
SCHEMBL8678047 0.86 HRH1 (0.68) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL1561082 0.84 HRH1 (1.00) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL1972366 0.84 HRH1 (1.00) HRH1KCNH2LMNADRD3HTR2A
Fexofenadine SCHEMBL3178320 0.84 HRH1 (1.00) HRH1KCNH2LMNADRD3HTR2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5932247-A MICROCRYSTALLINE CELLULOSE, LACTOSE AND PREGELATINIZED STARCH; GELATIN; CROSCARMELLOSE SODIUM HOECHST MARION ROUSSEL, INC. (US) 1999-08-03 — — US disclosed
US-5925761-A Synthesis of terfenadine and derivatives SEPRACOR INC. (US) 1999-07-20 — — US disclosed
US-5855912-A Pharmaceutical compositions for piperidinalkanol compounds HOECHST MARION ROUSSEL, INC. (US) 1999-01-05 — — US disclosed
US-5750703-A Piperidine derivatives and process for their production ALBANY MOLECULAR RESEARCH, INC. (US) 1998-05-12 — — US disclosed
US-5738872-A ANTIALLERGENS, ANTIHISTAMINES; BIOAVAILABILITY HOECHST MARION ROUSSEL, INC. (US) 1998-04-14 — — US disclosed
US-5675009-A Process for piperidine derivatives MERRELL PHARMACEUTICALS INC. (US) 1997-10-07 — — US disclosed
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