SCHEMBL11275928

SCHEMBL11275928

COC1CSC2=C(SC1)C(=O)N(c1ccc3ccc(Cl)cc3n1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.40
HTR3A P46098 2/20 0.40
HTR3E A5X5Y0 1/20 0.40
HTR3B O95264 1/20 0.40
HTR3D Q70Z44 1/20 0.40
HTR3C Q8WXA8 1/20 0.40
HRH4 Q9H3N8 3/20 0.34
RXFP1 Q9HBX9 1/20 0.33
ELANE P08246 1/20 0.32
ACACB O00763 1/20 0.32
PDE10A Q9Y233 2/20 0.31
KMT2A Q03164 3/20 0.31
MEN1 O00255 2/20 0.31
LRRK2 Q5S007 1/20 0.31
BACE1 P56817 3/20 0.31
USP2 O75604 1/20 0.30
GAA P10253 1/20 0.30

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
SCHEMBL11846739 0.82 HTR3A (0.47) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11264550 0.82 HRH3 (0.35) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11267038 0.81 NPC1 (0.43) KMT2AMEN1GAA
SCHEMBL11263616 0.80
SCHEMBL11260968 0.76 RECQL (0.34)
SCHEMBL11277201 0.74 ADORA3 (0.47) HRH3HTR3AHRH4PDE10A
SCHEMBL11668986 0.72 HTR3A (0.40) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11486318 0.69 HTR3A (0.46) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11833872 0.65 HRH3 (0.40) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11266030 0.63 FPR2 (0.30)

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-4327095-A TRANQUICIZERS, ANTICONVULSANTS DECONTRACTURANTS AND HYPNOGENIC AGENTS RHONE-POULENC INDUSTRIES (FR) 1982-04-27 US disclosed