SCHEMBL11598201

SCHEMBL11598201

CC1(CC(=O)Nc2ccccc2)OCCc2c1[nH]c1ccccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 5/20 0.47
OGFRL1 Q5TC84 4/20 0.47
OPRD1 P41143 2/20 0.45
OPRK1 P41145 2/20 0.45
OPRL1 P41146 2/20 0.45
EGFR P00533 2/20 0.43
SRC P12931 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
NFKB1 P19838 1/20 0.41
PTGS1 P23219 1/20 0.41
PTGS2 P35354 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
SCHEMBL11595954 0.89 OPRM1 (0.48) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11596389 0.87 OPRM1 (0.49) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11604174 0.87 OPRM1 (0.44) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11602587 0.86 OPRM1 (0.43) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11650527 0.85 OPRM1 (0.45) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11596132 0.84 OPRM1 (0.46) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11598173 0.84 OPRM1 (0.46) OPRM1OGFRL1OPRD1OPRK1OPRL1
Acetic Acid SCHEMBL11624482 0.82 OPRM1 (0.49) OPRM1OGFRL1OPRD1OPRK1OPRL1
Acetic Acid SCHEMBL11822954 0.82 OPRM1 (0.49) OPRM1OGFRL1OPRD1OPRK1OPRL1
SCHEMBL11598186 0.82 OPRM1 (0.49) OPRM1OGFRL1OPRD1OPRK1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4076831-A Pyrano[3,4-b]-indole derivatives, pharmaceutical compositions and methods of use AMERICAN HOME PRODUCTS CORPORATION (US) 1978-02-28 US disclosed
US-4070371-A ANTIINFLAMMATORY, ANALGESIC, ANTIBACTERIAL, FUNGICIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1978-01-24 US disclosed
US-4012417-A ACID CATALYSTS AMERICAN HOME PRODUCTS CORPORATION (US) 1977-03-15 US disclosed
US-3974179-A ANTIINFLAMMATORY, ANALGESICS, BACTERICIDES, FUNGICIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1976-08-10 US disclosed
US-3939178-A ANTIINFLAMMATORY, ANALGESIC, BACTERICIDE, FUNGICIDE AMERICAN HOME PRODUCTS CORPORATION (US) 1976-02-17 US disclosed