SCHEMBL9256832

SCHEMBL9256832

COC(=O)CCc1ccc(-c2nc(-c3ccc(CN(C)C)cc3)cn2C)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACVR1 Q04771 7/20 0.41
HRH3 Q9Y5N1 1/20 0.41
PARP1 P09874 2/20 0.39
BRD4 O60885 1/20 0.39
BRD9 Q9H8M2 1/20 0.39
APP P05067 1/20 0.39
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MCHR1 Q99705 1/20 0.36
CASP3 P42574 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
PPARG P37231 1/20 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
SCHEMBL9257985 0.87 BRD4 (0.41) ACVR1HRH3PARP1BRD4BRD9
SCHEMBL9248511 0.86 HRH3 (0.42) HRH3APPHPGDTSHRHSD17B10
SCHEMBL9251212 0.86 HRH3 (0.42) HRH3APPHPGDTSHRHSD17B10
SCHEMBL9250844 0.85 HRH3 (0.42) HRH3PARP1APPHPGDTSHR
SCHEMBL9254106 0.83 CYP11B1 (0.48) HRH3TSHRHSD17B10
SCHEMBL9257434 0.83 NPC1 (0.42) HRH3HPGDTSHRHSD17B10
SCHEMBL9259034 0.83 NPC1 (0.42) HRH3HPGDTSHRHSD17B10
SCHEMBL9259602 0.83 HRH3 (0.40) HRH3HPGDTSHRHSD17B10PPARG
SCHEMBL9255567 0.83 HRH3 (0.40) HRH3
SCHEMBL9259613 0.83 HRH3 (0.40) HRH3

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