SCHEMBL437444

SCHEMBL437444

CCCc1cc(N)c2cc(Cl)ccc2n1

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 18/20 0.60
ASIC3 Q9UHC3 1/20 0.59
OPRL1 P41146 1/20 0.49

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
SCHEMBL439615 0.88 NR4A2 (0.59) MCHR1ASIC3OPRL1
SCHEMBL4264863 0.84 MCHR1 (0.56) MCHR1ASIC3
SCHEMBL440305 0.81 MCHR1 (0.58) MCHR1ASIC3
SCHEMBL437488 0.81 MCHR1 (0.58) MCHR1ASIC3
SCHEMBL438576 0.81 MCHR1 (0.49) MCHR1ASIC3
SCHEMBL441586 0.79 KDM4E (0.60) MCHR1ASIC3
SCHEMBL437720 0.78 MCHR1 (0.69) MCHR1
SCHEMBL438887 0.77 MCHR1 (0.44) MCHR1ASIC3OPRL1
SCHEMBL6202831 0.77 MCHR1 (1.00) MCHR1
SCHEMBL6202826 0.77 MCHR1 (1.00) MCHR1

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-20120065166-A1 Bone Modulators And Methods Therewith ESPINA VIRGINIA (US) 2012-03-15 US disclosed