SCHEMBL172654

SCHEMBL172654

C=CCC1Cc2ccccc2CN1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PNMT P11086 5/20 0.61
OPRM1 P35372 1/20 0.45
OPRL1 P41146 1/20 0.45
PRCP P42785 1/20 0.44
CXCR4 P61073 1/20 0.40
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
CTNNB1 P35222 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39

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
SCHEMBL3151303 0.83 PNMT (0.45) PNMTOPRM1OPRL1
SCHEMBL20554026 0.79 PNMT (0.67) PNMTOPRM1OPRL1PRCPADRA2A
SCHEMBL14717943 0.79 PNMT (0.41) PNMTOPRM1OPRL1PRCPALDH1A1
SCHEMBL12290187 0.79 PNMT (0.41) PNMTOPRM1OPRL1PRCPALDH1A1
SCHEMBL8853554 0.79 PNMT (0.71) PNMTOPRM1OPRL1PRCPADRA2A
SCHEMBL8853548 0.79 PNMT (0.71) PNMTOPRM1OPRL1PRCPADRA2A
SCHEMBL13453377 0.77 PNMT (0.69) PNMTOPRM1OPRL1PRCPADRA2A
SCHEMBL14355729 0.77 PNMT (0.69) PNMTOPRM1OPRL1PRCPADRA2A
SCHEMBL172636 0.77 PNMT (0.69) PNMTOPRM1OPRL1PRCPADRA2A
SCHEMBL7374355 0.76 PNMT (0.68) PNMTOPRM1OPRL1PRCP

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-1255738-B1 GONADOTROPIN-RELEASING HORMONE RECEPTOR ANTAGONISTS AND METHODS RELATING THERETO NEUROCRINE BIOSCIENCES INC (US) 2012-03-07 EP disclosed