SCHEMBL25008019

SCHEMBL25008019

CCCCC(C)/C(C)=N/C=C(\C)CCc1cccc(Cl)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.37
▸ TAAR1 Q96RJ0 3/20 0.36
▸ TSHR P16473 1/20 0.35
▸ RECQL P46063 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRD1 P41143 1/20 0.35
▸ OPRK1 P41145 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ HTR3E A5X5Y0 1/20 0.35
▸ HTR3B O95264 1/20 0.35
▸ HTR3A P46098 1/20 0.35
▸ HTR3D Q70Z44 1/20 0.35
▸ HTR3C Q8WXA8 1/20 0.35
▸ CHRM2 P08172 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ CHRM3 P20309 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
SCHEMBL25006755 0.87 KCNH2 (0.35) —
SCHEMBL25006442 0.71 PTGIR (0.37) PNMTTAAR1HTR3EHTR3BHTR3A
SCHEMBL6570948 0.71 HTR3E (0.49) PNMTTAAR1TSHRRECQLNPC1
SCHEMBL197297 0.69 TAAR1 (0.59) PNMTTAAR1AOC3HTR3EHTR3B
SCHEMBL25008063 0.68 MMP2 (0.39) OPRM1OPRD1OPRK1
SCHEMBL6097422 0.67 TAAR1 (0.57) PNMTTAAR1KMT2AAOC3HTR3E
SCHEMBL14047464 0.67 TAAR1 (0.57) PNMTTAAR1AOC3HTR3EHTR3B
SCHEMBL25007227 0.67 PTGIR (0.36) —
SCHEMBL24244205 0.66 LPL (0.57) TAAR1AOC3HTR3EHTR3BHTR3A
SCHEMBL5599185 0.66 LPL (0.57) TAAR1AOC3HTR3EHTR3BHTR3A

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
EP-4129402-A1 HYDROXYPYRROLIDINE DERIVATIVE AND MEDICINAL APPLICATION THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2023-02-08 — — EP disclosed
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