SCHEMBL9257936

SCHEMBL9257936

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

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
AVPR1B P47901 12/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
APP P05067 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 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
SCHEMBL9259613 0.90 HRH3 (0.40) HRH3AVPR1BADRB2ADRB1
SCHEMBL9255567 0.85 HRH3 (0.40) HRH3AVPR1BNPC1RAB9AADRB2
SCHEMBL9248511 0.85 HRH3 (0.42) HRH3AVPR1BNPC1RAB9AAPP
SCHEMBL9251212 0.85 HRH3 (0.42) HRH3AVPR1BNPC1RAB9AAPP
SCHEMBL9257434 0.83 NPC1 (0.42) HRH3NPC1RAB9A
SCHEMBL9259034 0.83 NPC1 (0.42) HRH3NPC1RAB9A
Hydrochloric Acid SCHEMBL9256062 0.82 NPC1 (0.41) HRH3NPC1RAB9A
SCHEMBL9257933 0.82 HRH3 (0.39) HRH3AVPR1BNPC1RAB9A
SCHEMBL9250844 0.82 HRH3 (0.42) HRH3AVPR1BNPC1RAB9AAPP
SCHEMBL9259602 0.81 HRH3 (0.40) HRH3AVPR1BNPC1RAB9APPARG

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 1 patent. 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