SCHEMBL9250844

SCHEMBL9250844

CNCc1ccc(-c2cn(C)c(-c3ccc(CCC(=O)OC)cc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HSD17B10 Q99714 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
CASP3 P42574 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
PARP1 P09874 2/20 0.36
PARP2 Q9UGN5 2/20 0.36
AVPR1B P47901 2/20 0.35
APP P05067 1/20 0.35
VDR P11473 1/20 0.35
PPARD Q03181 1/20 0.35
TP53 P04637 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
MAPT P10636 2/20 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
SCHEMBL9256853 0.88 FFAR1 (0.43) HRH3NPC1RAB9ACASP3SENP8
SCHEMBL9248511 0.87 HRH3 (0.42) HRH3NPC1RAB9AHSD17B10HPGD
SCHEMBL9251212 0.87 HRH3 (0.42) HRH3NPC1RAB9AHSD17B10HPGD
SCHEMBL9254106 0.87 CYP11B1 (0.48) HRH3HSD17B10TSHRMEN1KMT2A
SCHEMBL9256832 0.85 ACVR1 (0.41) HRH3HSD17B10HPGDTSHRCASP3
SCHEMBL9259034 0.84 NPC1 (0.42) HRH3NPC1RAB9AHSD17B10HPGD
SCHEMBL9257434 0.84 NPC1 (0.42) HRH3NPC1RAB9AHSD17B10HPGD
SCHEMBL9259602 0.84 HRH3 (0.40) HRH3NPC1RAB9AHSD17B10HPGD
SCHEMBL9255567 0.84 HRH3 (0.40) HRH3NPC1RAB9AAVPR1BTP53
SCHEMBL9259613 0.84 HRH3 (0.40) HRH3AVPR1B

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
US-5463071-A Tetrazole derivatives; useful for inhibiting undesirable cell aggregation DR. KARL THOMAE GMBH (DE) 1995-10-31 US disclosed
EP-0525629-A2 5-membered heterocycles, process for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1993-02-03 EP disclosed