SCHEMBL8632785

SCHEMBL8632785

CCc1ccc(C2(CCO)CCN(C(=O)c3cc(-n4cnnn4)ccc3OC)C2)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 8/20 0.40
TACR1 P25103 7/20 0.40
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HRH1 P35367 2/20 0.37
TACR3 P29371 1/20 0.37

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
SCHEMBL7462757 0.93 TACR2 (0.43) TACR2TACR1ALDH1A1HPGDHRH1
SCHEMBL6997001 0.90 TACR2 (0.51) TACR2TACR1HRH1TACR3
SCHEMBL7462006 0.90 TACR2 (0.41) TACR2TACR1ALDH1A1HPGDHRH1
SCHEMBL7468621 0.90 TACR2 (0.51) TACR2TACR1HRH1TACR3
SCHEMBL6996994 0.90 TACR2 (0.51) TACR2TACR1HRH1TACR3
SCHEMBL6992108 0.89 TACR2 (0.46) TACR2TACR1HRH1TACR3
SCHEMBL7461790 0.82 TACR2 (0.40) TACR2TACR1ALDH1A1HRH1TACR3
SCHEMBL7473504 0.80 TACR2 (0.48) TACR2TACR1HRH1TACR3
SCHEMBL7463741 0.80 TACR2 (0.39) TACR2TACR1ALDH1A1HRH1TACR3
SCHEMBL6997345 0.80 TACR2 (0.48) TACR2TACR1HRH1TACR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946548-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP disclosed
WO-1998027086-A1 NOVEL HETEROCYCLIC SUBSTITUTED PYRROLIDINE AMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed