SCHEMBL23715380

SCHEMBL23715380

Cc1ccc2c(c1)C(C)(C#N)CC2

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.36
ADRA2A P08913 1/20 0.35
KDM1A O60341 2/20 0.35
ESR2 Q92731 5/20 0.34
ESR1 P03372 4/20 0.34
SIGMAR1 Q99720 2/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP1A2 P05177 2/20 0.32
CYP2A6 P11509 2/20 0.32

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
SCHEMBL19469638 0.88 ALDH1A1 (0.41) OPRM1ADRA2AESR2ESR1SIGMAR1
SCHEMBL30058891 0.81 KDM1A (0.46) KDM1A
SCHEMBL23704864 0.81 KDM1A (0.46) KDM1A
SCHEMBL19469456 0.78 CYP3A4 (0.47) OPRM1ADRA2ASIGMAR1ALDH1A1CYP3A4
SCHEMBL12247403 0.78 SIGMAR1 (0.43) KDM1ASIGMAR1ALDH1A1CYP3A4CYP1A2
SCHEMBL23705405 0.76 KDM1A (0.51) KDM1AALDH1A1CYP3A4CYP1A2
SCHEMBL9770689 0.75 CYP3A4 (0.41) ADRA2AKDM1ASIGMAR1ALDH1A1CYP3A4
SCHEMBL30695369 0.75 CYP3A4 (0.41) ADRA2AKDM1ASIGMAR1ALDH1A1CYP3A4
SCHEMBL23714665 0.75 OPRM1 (0.30) OPRM1
SCHEMBL23714634 0.73 RARB (0.36) KDM1AALDH1A1CYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021155316-A1 COMPOUNDS AND USES THEREOF FOGHORN THERAPEUTICS INC. (US) 2021-08-05 WO disclosed