SCHEMBL8949103

SCHEMBL8949103

N=C(N)c1ccc(-c2cc(C(=O)N[C@H]3CC[C@H](C(=O)O)CC3)c(=O)n(CC(=O)NC(Cc3ccccc3)C(=O)O)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 8/20 0.47
CNR1 P21554 4/20 0.47
MAPT P10636 1/20 0.40
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
EPHX2 P34913 2/20 0.37
CAPN1 P07384 1/20 0.37
TTK P33981 1/20 0.37
PIN1 Q13526 2/20 0.37
CRHR1 P34998 1/20 0.37
CRHR2 Q13324 1/20 0.37
F10 P00742 2/20 0.36
PRSS1 P07477 2/20 0.36

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
Hydrochloric Acid SCHEMBL8949174 0.87 CNR2 (0.46) CNR2CNR1MAPTHPGDSMN1; SMN2
SCHEMBL8949296 0.86 CNR2 (0.60) CNR2CNR1SMN1; SMN2CRHR1CRHR2
SCHEMBL8949025 0.85 CNR2 (0.47) CNR2CNR1MAPTHPGDSMN1; SMN2
SCHEMBL8949399 0.82 CNR2 (0.49) CNR2CNR1HPGDSMN1; SMN2CRHR1
SCHEMBL8949206 0.81 CNR2 (0.46) CNR2CNR1HPGDSMN1; SMN2CRHR1
SCHEMBL8949199 0.79 ITGB3 (0.43) CNR2CNR1HPGDF10
SCHEMBL8949357 0.79 CNR2 (0.59) CNR2CNR1SMN1; SMN2CRHR1CRHR2
SCHEMBL8949091 0.79 CNR1 (0.48) CNR2CNR1SMN1; SMN2F10PRSS1
Hydrochloric Acid SCHEMBL8949111 0.78 ITGB3 (0.43) CNR2CNR1HPGDF10
SCHEMBL8949106 0.78 CNR2 (0.56) CNR2CNR1SMN1; SMN2CRHR1CRHR2

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
US-5563268-A FOR PREVENTING CELL AGGLOMERATION, TREATING THROMBOSIS, ARTERIOSCLEROSIS, BRAIN, LUNG OR CARDIOVASCULAR DISORDERS DR. KARL THOMAE GMBH (DE) 1996-10-08 US disclosed
US-5418233-A FOR INHIBITING CELL AGGREGATION KARL THOMAE GMBH (DE) 1995-05-23 US disclosed
EP-0537696-A1 Heterobiaryl derivatives, medicines containing those compounds and process for their preparation Dr. Karl Thomae GmbH (DE) 1993-04-21 EP disclosed