SCHEMBL5253452

SCHEMBL5253452

O=c1c2ccc(-c3ccc(F)cc3)cc2ncn1-c1ccc(OCCN2CCCC2)c(Cl)c1

nearest known ligand 0.71

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 19/20 0.71
▸ KCNH2 Q12809 2/20 0.51
▸ CHRM4 P08173 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CHRM5 P08912 1/20 0.51
▸ ADRA2A P08913 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ CHRM3 P20309 1/20 0.51
▸ ADRA1D P25100 1/20 0.51
▸ HTR1D P28221 1/20 0.51
▸ HTR2C P28335 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ DRD3 P35462 1/20 0.51
▸ HTR2B P41595 1/20 0.51
▸ HTR5A P47898 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ HRH3 Q9Y5N1 1/20 0.51

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
SCHEMBL5256060 0.92 MCHR1 (0.79) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5255597 0.89 MCHR1 (0.85) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5254397 0.84 MCHR1 (0.84) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5255979 0.83 MCHR1 (1.00) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5257977 0.81 MCHR1 (0.84) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5257764 0.80 MCHR1 (0.87) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5387647 0.80 MCHR1 (1.00) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5254995 0.80 MCHR1 (0.87) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5261834 0.80 MCHR1 (0.98) MCHR1KCNH2CHRM4CYP3A4CHRM5
SCHEMBL5260340 0.80 MCHR1 (0.98) MCHR1KCNH2CHRM4CYP3A4CHRM5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 — — US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 — — US disclosed
US-7285557-B2 Pyrimidinones as melanin concentrating hormone receptor 1 SMITHKLINE BEECHAM P.L.C. (GB) 2007-10-23 — — US disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 — — EP disclosed
EP-1442025-B1 PYRIMIDINONES AS MELANIN CONCENTRATING HORMONE RECEPTOR 1 SMITHKLINE BEECHAM PLC (GB) 2007-03-07 — — EP disclosed
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