SCHEMBL9259613

SCHEMBL9259613

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

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.40
AVPR1B P47901 15/20 0.40
ADRB2 P07550 1/20 0.36
ADRB1 P08588 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
SCHEMBL9257936 0.90 HRH3 (0.39) HRH3AVPR1BADRB2ADRB1
SCHEMBL9255567 0.89 HRH3 (0.40) HRH3AVPR1BADRB2ADRB1
SCHEMBL9248511 0.89 HRH3 (0.42) HRH3AVPR1B
SCHEMBL9251417 0.89 FFAR1 (0.40) HRH3AVPR1B
SCHEMBL9251212 0.87 HRH3 (0.42) HRH3AVPR1B
SCHEMBL9250844 0.84 HRH3 (0.42) HRH3AVPR1B
SCHEMBL9259034 0.83 NPC1 (0.42) HRH3
SCHEMBL9257434 0.83 NPC1 (0.42) HRH3
SCHEMBL9259602 0.83 HRH3 (0.40) HRH3AVPR1B
SCHEMBL9256832 0.83 ACVR1 (0.41) 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 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