SCHEMBL9867716

SCHEMBL9867716

O=C(c1ccccc1F)N1CCC(O)CC1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.67
KMT2A Q03164 3/20 0.67
CYP2C9 P11712 1/20 0.65
CYP2C19 P33261 1/20 0.65
MAPK14 Q16539 1/20 0.65
KDM4E B2RXH2 4/20 0.63
HSD11B1 P28845 2/20 0.63
TSHR P16473 2/20 0.62
HTT P42858 3/20 0.60
MGLL Q99685 1/20 0.60
EPHX2 P34913 1/20 0.59
ALDH1A1 P00352 3/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
TP53 P04637 1/20 0.57
HTR2A P28223 1/20 0.55
HTR2C P28335 1/20 0.55
UBE2M P61081 1/20 0.55
DCUN1D1 Q96GG9 1/20 0.55
LMNA P02545 2/20 0.55

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
SCHEMBL22305400 0.86 TSHR (0.80) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL11715149 0.86 TSHR (0.80) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL17946287 0.85 MEN1 (0.65) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL13503962 0.85 KDM4E (0.84) MEN1KMT2ACYP2C9CYP2C19MAPK14
Hydrochloric Acid SCHEMBL4618191 0.84 MEN1 (0.63) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL25432112 0.82 TSHR (0.70) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL10396663 0.82 HPGD (0.74) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL30334082 0.82 MEN1 (0.61) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL13503788 0.81 KDM4E (0.61) MEN1KMT2ACYP2C9CYP2C19MAPK14
SCHEMBL21891709 0.81 CPB1 (0.68) MEN1KMT2ACYP2C9CYP2C19MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5057611-A Intermediates for analgesics HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1991-10-15 US disclosed
US-4833244-A Ethanobenzazepines HOECHST-ROUSEEL PHARMACEUTICALS INC. (US) 1989-05-23 US disclosed
US-4723009-A USING 1-OXA-6-AZA SPIRO(2,5)OCTANE COMPOUNDS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1988-02-02 US disclosed
US-4654336-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-03-31 US disclosed
EP-0200052-A2 Ethanobenzazepines, a process and intermediates for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1986-11-05 EP disclosed