SCHEMBL20076154

SCHEMBL20076154

CC1(C)CC(C)(C)C1Oc1ccc(C#N)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 11/20 0.54
FPR2 P25090 1/20 0.40
PROKR1 Q8TCW9 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP2A6 P11509 1/20 0.39
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
MMP13 P45452 1/20 0.38
MMP14 P50281 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
HRH2 P25021 1/20 0.37
HRH1 P35367 1/20 0.37
MAOB P27338 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
SCHEMBL31604725 0.76 HRH3 (0.45) HRH3ALDH1A1CYP2A6CA1CA2
SCHEMBL5024491 0.76 HRH3 (0.71) HRH3FPR2PROKR1GPR119TRPC6
SCHEMBL22138868 0.76 HRH3 (0.71) HRH3FPR2PROKR1GPR119TRPC6
SCHEMBL4237757 0.76 HRH3 (0.53) HRH3FPR2PROKR1GPR119MMP13
Hydrochloric Acid SCHEMBL31604770 0.75 HRH3 (0.44) HRH3ALDH1A1CYP2A6CA1CA2
SCHEMBL4234096 0.75 HRH3 (0.59) HRH3FPR2PROKR1GPR119HRH2
SCHEMBL21130985 0.73 HRH3 (0.67) HRH3FPR2PROKR1GPR119TRPC6
SCHEMBL247758 0.73 HRH3 (0.71) HRH3FPR2PROKR1GPR119TRPC6
SCHEMBL5527463 0.73 HRH3 (0.52) HRH3FPR2PROKR1GPR119MMP13
SCHEMBL20205990 0.73 HRH3 (0.71) HRH3FPR2PROKR1GPR119TRPC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3660004-B1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS INC (US) 2023-02-22 EP disclosed
EP-3660004-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas Operations, Inc. (US) 2020-06-03 EP disclosed
WO-2018071606-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR Arvinas, Inc. (US) 2018-04-19 WO disclosed