SCHEMBL6864902

SCHEMBL6864902

NC(=O)Oc1cccc2c1nc(C1CCN(Cc3ccccc3)CC1)n2C(=O)C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
TSHR P16473 1/20 0.45
FAAH O00519 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
OPRK1 P41145 1/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5620886 0.86 PARP1 (0.55) MEN1KMT2ATSHRFAAHCYP3A4
SCHEMBL7043510 0.86 PARP1 (0.55) MEN1KMT2AOPRK1
SCHEMBL7041082 0.81 PARP1 (0.52) MEN1KMT2AOPRK1
SCHEMBL6871406 0.75 PARP1 (0.56) OPRK1
SCHEMBL7041477 0.75 DRD2 (0.44) MEN1KMT2AOPRK1SMN1; SMN2
SCHEMBL6872704 0.72 PARP1 (0.60)
SCHEMBL7043338 0.72 PARP1 (0.59)
SCHEMBL7040971 0.72 HTR7 (0.42) CYP3A4SMN1; SMN2
SCHEMBL7042531 0.72 PARP1 (0.56) MEN1KMT2ATSHRCYP3A4CYP2D6
SCHEMBL5622218 0.71 PARP1 (0.76) OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1133477-B1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS ABBOTT GMBH & CO KG (DE) 2004-02-18 EP disclosed
WO-2001082877-A2 USE OF PARP INHIBITORS IN COSMETIC PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-11-08 WO disclosed
EP-1133477-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-2000032579-A1 SUBSTITUTED BENZIMIDAZOLES AND THEIR USE AS PARP INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 2000-06-08 WO disclosed