SCHEMBL11264550

SCHEMBL11264550

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

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.35
HTR3A P46098 2/20 0.35
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
PDE10A Q9Y233 2/20 0.31
PDE2A O00408 1/20 0.31
ACACB O00763 1/20 0.30
HRH4 Q9H3N8 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
SCHEMBL11833872 0.84 HRH3 (0.40) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11266030 0.83 FPR2 (0.30)
SCHEMBL11275928 0.82 HRH3 (0.40) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11277201 0.81 ADORA3 (0.47) HRH3HTR3APDE10AHRH4
SCHEMBL11668842 0.72 HRH3 (0.37) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL10472440 0.69 RAB9A (0.58) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11488417 0.69 PDE10A (0.42) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11836835 0.67 TSHR (0.48) HRH3HTR3AHTR3EHTR3BHTR3D
SCHEMBL11267038 0.66 NPC1 (0.43) MEN1KMT2A
SCHEMBL11263670 0.66 MAPT (0.42) MEN1KMT2A

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