SCHEMBL3401854

SCHEMBL3401854

c1ccc(C2CCC3(CC3)N2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 1/20 0.39
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PRCP P42785 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KDM1A O60341 4/20 0.34
MAOA P21397 4/20 0.34
MAOB P27338 4/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL3394805 0.88 TRPA1 (0.39) DDB1CRBNSLC18A3SIGMAR1PRCP
SCHEMBL9420060 0.78 PRCP (0.40) SLC18A3SIGMAR1PRCPMEN1KMT2A
SCHEMBL31266435 0.75 KDM4E (0.40) PRCPMEN1KMT2AKDM1AMAOA
SCHEMBL18801244 0.71 TRPA1 (0.35) SLC18A3SIGMAR1PRCPMEN1KMT2A
SCHEMBL8926653 0.71 TRPA1 (0.38) KDM1AMAOAMAOB
SCHEMBL31504308 0.71 TRPA1 (0.45) PRCPKDM1AMAOAMAOB
SCHEMBL30298452 0.70 CHRNB2 (0.59) SLC18A3SIGMAR1PRCPMEN1KMT2A
SCHEMBL172454 0.70 CHRNB2 (0.59) SLC18A3SIGMAR1PRCPMEN1KMT2A
SCHEMBL1413442 0.70 CHRNB2 (0.59) SLC18A3SIGMAR1PRCPMEN1KMT2A
SCHEMBL38664211 0.68 DDB1 (0.39) DDB1CRBN

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 disclosed
WO-2009099736-A2 BENZOXAZOLE CARBOXAMIDE INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE (PARP) LEAD THERAPEUTICS, INC. (US) 2009-08-13 WO disclosed