SCHEMBL9257933

SCHEMBL9257933

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
MAPT P10636 1/20 0.35
AVPR1B P47901 4/20 0.35
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
FFAR1 O14842 1/20 0.34
HDAC1 Q13547 1/20 0.34
SPNS2 Q8IVW8 1/20 0.34

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
SCHEMBL9259602 0.91 HRH3 (0.40) HRH3NPC1RAB9AAVPR1BHPGD
SCHEMBL9251212 0.86 HRH3 (0.42) HRH3NPC1RAB9AAVPR1BHPGD
SCHEMBL9248511 0.86 HRH3 (0.42) HRH3NPC1RAB9AAVPR1BHPGD
SCHEMBL9257434 0.84 NPC1 (0.42) HRH3NPC1RAB9AHPGDTSHR
SCHEMBL9259034 0.84 NPC1 (0.42) HRH3NPC1RAB9AHPGDTSHR
Hydrochloric Acid SCHEMBL9256062 0.83 NPC1 (0.41) HRH3NPC1RAB9AHPGDTSHR
SCHEMBL9250844 0.83 HRH3 (0.42) HRH3NPC1RAB9AMAPTAVPR1B
SCHEMBL9257936 0.82 HRH3 (0.39) HRH3NPC1RAB9AAVPR1B
SCHEMBL9255567 0.82 HRH3 (0.40) HRH3NPC1RAB9AMAPTAVPR1B
SCHEMBL9259613 0.82 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