SCHEMBL20157172

SCHEMBL20157172

Cc1cccc(C2CCNC2)n1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.41
CCR1 P32246 1/20 0.41
CCR8 P51685 1/20 0.41
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
HTR3A P46098 1/20 0.40

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
Hydrochloric Acid SCHEMBL20139947 0.98 HTR2C (0.42) HTR2CCCR1CCR8OPRM1OPRL1
SCHEMBL171375 0.90 DRD2 (0.44)
SCHEMBL12093290 0.89 HTR2C (0.47) HTR2CCCR1CCR8OPRM1OPRL1
SCHEMBL30469416 0.89 HTR2C (0.47) HTR2CCCR1CCR8OPRM1OPRL1
SCHEMBL30599933 0.85 CCR1 (0.46) CCR1CCR8OPRM1OPRL1
SCHEMBL1742160 0.85 CCR1 (0.46) CCR1CCR8OPRM1OPRL1
SCHEMBL14869055 0.79 MPO (0.41) OPRM1OPRL1HTR3A
SCHEMBL14868947 0.79 PARP1 (0.41) HTR3A
SCHEMBL1610517 0.79 CCR1 (0.52) CCR1CCR8OPRM1OPRL1
SCHEMBL30472085 0.79 CHRNA7 (0.39) HTR3A

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-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed