SCHEMBL7802841

SCHEMBL7802841

CN(C(=O)CC(CCN1CCC(O)(c2ccccc2)CC1)c1ccccc1)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.59
OPRL1 P41146 2/20 0.59
CCR1 P32246 2/20 0.53
TACR2 P21452 1/20 0.53
TACR1 P25103 1/20 0.53
MEN1 O00255 2/20 0.50
LMNA P02545 2/20 0.50
ADRB2 P07550 2/20 0.50
ADRA2A P08913 2/20 0.50
DRD4 P21917 2/20 0.50
SLC6A4 P31645 2/20 0.50
OPRD1 P41143 2/20 0.50
OPRK1 P41145 2/20 0.50
HTR2B P41595 2/20 0.50
SLC6A3 Q01959 2/20 0.50
KMT2A Q03164 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
SIGMAR1 Q99720 2/20 0.50
DRD2 P14416 2/20 0.50
CES2 O00748 1/20 0.50

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
SCHEMBL7802820 0.93 OPRL1 (0.58) OPRM1OPRL1CCR1TACR2TACR1
SCHEMBL7802957 0.91 TACR2 (0.66) OPRM1OPRL1TACR2TACR1
SCHEMBL7811493 0.86 TACR2 (0.57) OPRM1OPRL1TACR2TACR1DRD4
SCHEMBL8588638 0.86 TACR2 (0.69) TACR2TACR1
SCHEMBL7802852 0.84 DRD4 (0.62) OPRM1MEN1DRD4KMT2ASIGMAR1
SCHEMBL7803126 0.83 OPRM1 (0.62) OPRM1OPRL1CCR1TACR2TACR1
SCHEMBL7812082 0.83 TACR2 (0.62) TACR2TACR1
SCHEMBL7811904 0.79 TACR2 (0.56) OPRL1TACR2TACR1
SCHEMBL7873763 0.78 TACR2 (0.65) TACR2TACR1
SCHEMBL7807754 0.77 DRD4 (0.58) OPRM1OPRL1MEN1DRD4KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0773929-B1 PIPERIDINE DERIVATIVES AS NEUROKININ ANTAGONISTS SCHERING CORP (US) 2001-10-31 EP disclosed
US-5654316-A Piperidine derivatives as neurokinin antagonists SCHERING CORPORATION (US) 1997-08-05 US disclosed