SCHEMBL2480143

SCHEMBL2480143

O=C(NCCc1ccccn1)N1CCC(c2ccc(O)cc2O)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HSD11B1 P28845 1/20 0.43
CASP3 P42574 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
NAMPT P43490 1/20 0.42
GPR39 O43194 1/20 0.42
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL16564546 0.85 RAB9A (0.42) RAB9ANPC1HSD11B1OPRM1OPRD1
SCHEMBL2475592 0.84 CHRM4 (0.48) ALDH1A1
SCHEMBL2479412 0.82 GRM5 (0.45) OPRM1OPRD1OPRK1SMN1; SMN2
SCHEMBL2474641 0.81 EPHX1 (0.45) EPHX2NAMPTALDH1A1
SCHEMBL2475564 0.80 FNTA (0.46) RAB9ANPC1SMN1; SMN2
SCHEMBL2477516 0.80 ALOX5 (0.46) ALDH1A1
SCHEMBL2474397 0.79 KMT2A (0.51) EPHX2
SCHEMBL2473352 0.77 NPSR1 (0.58) ALDH1A1SMN1; SMN2
SCHEMBL2471885 0.77 EPHX2 (0.49) EPHX2
SCHEMBL2476302 0.77 EPHX2 (0.43) EPHX2NAMPT

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-2373620-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-10-12 EP claimed
EP-2373620-A1 NOVEL 4-(AZACYCLOALKYL)BENZENE-1,3-DIOL COMPOUNDS AS TYROSINASE INHIBITORS, PROCESS FOR THE PREPARATION THEREOF AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS Galderma Research & Development (FR) 2011-10-12 EP disclosed