SCHEMBL13736888

SCHEMBL13736888

O=c1c2sc(-c3ccc(Cl)cc3)cc2ncn1-c1ccc(OCCCN2CC3(COC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 0.54
▸ CHRM4 P08173 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CHRM5 P08912 1/20 0.53
▸ ADRA2A P08913 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ ADRA1D P25100 1/20 0.53
▸ HTR1D P28221 1/20 0.53
▸ HTR2C P28335 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ DRD3 P35462 1/20 0.53
▸ HTR2B P41595 1/20 0.53
▸ HTR5A P47898 1/20 0.53
▸ KCNH2 Q12809 1/20 0.53
▸ TMEM97 Q5BJF2 1/20 0.53
▸ SIGMAR1 Q99720 1/20 0.53
▸ HRH3 Q9Y5N1 1/20 0.53

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
SCHEMBL13738592 0.96 MCHR1 (0.58) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13737237 0.94 MCHR1 (0.50) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13833424 0.92 MCHR1 (0.48) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13738755 0.92 MCHR1 (0.53) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13739105 0.90 MCHR1 (0.53) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13738492 0.90 MCHR1 (0.59) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13833251 0.88 MCHR1 (0.53) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13736713 0.88 MCHR1 (0.58) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13735983 0.85 MCHR1 (0.58) MCHR1CHRM4CYP3A4CHRM5ADRA2A
SCHEMBL13833445 0.85 MCHR1 (0.64) MCHR1CHRM4CYP3A4CHRM5ADRA2A

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
WO-2012153154-A1 OXETANE SUBSTITUTED THIENO PYRIMIDINONES RICHTER GEDEON NYRT. (HU) 2012-11-15 — — WO disclosed
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