SCHEMBL11245152

SCHEMBL11245152

CC1(CCO)OCCc2c1[nH]c1ccccc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.48
OGFRL1 Q5TC84 6/20 0.48
OPRL1 P41146 3/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
BRD3 Q15059 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
CRHBP P24387 1/20 0.41
MAPK1 P28482 1/20 0.41
CRHR2 Q13324 1/20 0.41
KDM4E B2RXH2 1/20 0.39
LPAR1 Q92633 1/20 0.39
LMNA P02545 2/20 0.39
AURKA O14965 1/20 0.38
MAPK10 P53779 1/20 0.38
RIPK1 Q13546 1/20 0.38
BAZ2B Q9UIF8 1/20 0.38

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
SCHEMBL11596744 0.92 OPRM1 (0.50) OPRM1OGFRL1OPRL1OPRD1OPRK1
Acetic Acid SCHEMBL11822954 0.87 OPRM1 (0.49) OPRM1OGFRL1OPRL1OPRD1OPRK1
Acetic Acid SCHEMBL11624482 0.87 OPRM1 (0.49) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL11603389 0.87 OPRM1 (0.48) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL11597100 0.85 OPRM1 (0.47) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL11603382 0.85 OPRM1 (0.46) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL11602081 0.85 OPRM1 (0.52) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL11602703 0.85 OPRM1 (0.51) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL11165240 0.84 OPRM1 (0.50) OPRM1OGFRL1OPRL1OPRD1OPRK1
SCHEMBL11874517 0.83 OPRM1 (0.46) OPRM1OGFRL1OPRL1OPRD1OPRK1

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
EP-0005365-B1 PYRANO AND THIOPYRANO (3,4-B) INDOLE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMERICAN HOME PRODUCTS CORPORATION (US) 1982-01-06 EP disclosed