SCHEMBL3396699

SCHEMBL3396699

c1ccc(C2CC3(CC3)CN2)cc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.40
ADAM10 O14672 3/20 0.39
ERBB2 P04626 3/20 0.39
MMP2 P08253 3/20 0.39
KDM1A O60341 10/20 0.37
MAOA P21397 10/20 0.37
MAOB P27338 10/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3423453 0.92 PRCP (0.38) PRCPADAM10ERBB2MMP2KDM1A
SCHEMBL24481844 0.91 PRCP (0.37) PRCPADAM10ERBB2MMP2KDM1A
SCHEMBL20528510 0.82 KDM1A (0.40) PRCPKDM1AMAOAMAOBMEN1
SCHEMBL3402260 0.82 KDM1A (0.40) PRCPKDM1AMAOAMAOBMEN1
SCHEMBL20011791 0.77 ALDH1A1 (0.37)
SCHEMBL18863654 0.76 PRCP (0.40) PRCPKDM1AMAOAMAOBMEN1
SCHEMBL18863653 0.76 PRCP (0.40) PRCPKDM1AMAOAMAOBMEN1
SCHEMBL3574526 0.76 KDM1A (0.44) PRCPKDM1AMAOAMAOBMEN1
SCHEMBL2328899 0.74 RAD52 (0.38) ADAM10ERBB2MMP2KDM1AMEN1
SCHEMBL24774588 0.74 ADAM10 (0.33) ADAM10ERBB2MMP2

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-2247600-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) Lead Therapeutics, Inc. (US) 2010-11-10 EP claimed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO claimed