SCHEMBL28899141

SCHEMBL28899141

N#C[C@@]1(c2ccccc2)C[C@H]1CCl

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
MAOB P27338 8/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 3/20 0.35
MAOA P21397 3/20 0.33

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
SCHEMBL11133978 0.82 HTR2C (0.36) OPRM1MAOBHTR2AHTR2CHTR2B
SCHEMBL13224837 0.82 PTGS2 (0.36) OPRM1MAOBHTR2AHTR2CHTR2B
SCHEMBL8927314 0.82 PTGS2 (0.36) OPRM1MAOBHTR2AHTR2CHTR2B
SCHEMBL28468651 0.82 HTR2C (0.50) MAOBHTR2AHTR2CHTR2B
SCHEMBL13224854 0.82 PTGS2 (0.36) OPRM1MAOBHTR2AHTR2CHTR2B
SCHEMBL13224856 0.82 PTGS2 (0.36) OPRM1MAOBHTR2AHTR2CHTR2B
SCHEMBL4402453 0.82 PTGS2 (0.36) OPRM1MAOBHTR2AHTR2CHTR2B
SCHEMBL4808314 0.79 MAOB (0.35) OPRM1MAOBHTR2AHTR2CHTR2B
SCHEMBL4808878 0.78 LMNA (0.35) OPRM1MAOBHTR2AHTR2CHTR2B
SCHEMBL21107627 0.78 SMN1; SMN2 (0.34) OPRM1MAOBHTR2AHTR2CHTR2B

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
CN-111620807-A Preparation method of levomilnacipran hydrochloride impurity 北京万全德众医药生物技术有限公司 2020-09-04 CN disclosed