SCHEMBL8891236

SCHEMBL8891236

CC(CCC(N)N1CCC(O)(c2ccc(Cl)cc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.53
OPRL1 P41146 4/20 0.53
OPRD1 P41143 4/20 0.53
OPRK1 P41145 4/20 0.53
CCR1 P32246 8/20 0.52
CCR3 P51677 3/20 0.52
ADRA2A P08913 3/20 0.48
DRD4 P21917 3/20 0.48
SLC6A4 P31645 3/20 0.48
HRH2 P25021 2/20 0.48
ADRA1A P35348 2/20 0.48
KCNH2 Q12809 2/20 0.48
SCN5A Q14524 2/20 0.48
MEN1 O00255 2/20 0.48
LMNA P02545 2/20 0.48
ADRB2 P07550 2/20 0.48
HTR2B P41595 2/20 0.48
SLC6A3 Q01959 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48

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 SCHEMBL8893906 0.81 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1CCR1
Hydrochloric Acid SCHEMBL7470984 0.80 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1CCR1
Hydrochloric Acid SCHEMBL8892207 0.78 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL8892446 0.78 OPRM1 (0.50) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL8901930 0.78 CCR1 (0.74) OPRM1OPRD1OPRK1CCR1CCR3
Hydrochloric Acid SCHEMBL7465914 0.76 OPRM1 (0.43) OPRM1OPRL1OPRD1OPRK1CCR1
Hydrochloric Acid SCHEMBL8892325 0.74 MAPT (0.43) OPRM1OPRL1OPRD1OPRK1CCR1
Hydrochloric Acid SCHEMBL7458961 0.73 OPRM1 (0.47) OPRM1OPRL1OPRD1OPRK1CCR1
SCHEMBL7462099 0.73 OPRM1 (0.43) OPRM1OPRL1OPRD1OPRK1CCR1
Hydrochloric Acid SCHEMBL8891721 0.73 OPRM1 (0.49) OPRM1OPRL1OPRD1OPRK1CCR1

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-1997024325-A1 DIPHENYLMETHANE DERIVATIVES AS MIP-1α/RANTES RECEPTOR ANTAGONISTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-10 WO disclosed