SCHEMBL7965735

SCHEMBL7965735

CC1(c2cccc([AsH2])c2)C2CN(CCCc3ccccc3)CC21

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.66
OPRD1 P41143 5/20 0.47
OPRK1 P41145 4/20 0.44
SIGMAR1 Q99720 4/20 0.43
ADRA2A P08913 1/20 0.42
AR P10275 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2A P28223 1/20 0.42
ADRA1A P35348 1/20 0.42
PTGS2 P35354 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
PYGL P06737 1/20 0.41

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
SCHEMBL5753435 0.85 OPRM1 (0.66) OPRM1OPRD1OPRK1ADRA2AAR
SCHEMBL5751643 0.85 OPRM1 (0.66) OPRM1OPRD1OPRK1SIGMAR1ADRA2A
SCHEMBL5754673 0.85 OPRM1 (0.66) OPRM1OPRD1OPRK1SIGMAR1ADRA2A
SCHEMBL5754727 0.82 OPRM1 (0.62) OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL5753484 0.80 OPRM1 (1.00) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5754694 0.79 OPRM1 (0.83) OPRM1OPRD1OPRK1KCNH2
Hydrochloric Acid SCHEMBL5756166 0.79 OPRM1 (0.98) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5759759 0.78 OPRM1 (0.81) OPRM1OPRD1OPRK1HTR2AKCNH2
SCHEMBL5757308 0.78 OPRM1 (0.81) OPRM1OPRD1OPRK1KCNH2
SCHEMBL5754744 0.78 OPRM1 (0.57) OPRM1OPRD1SIGMAR1

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
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US disclosed