SCHEMBL9847643

SCHEMBL9847643

CCCCCCN1c2cc(C)ccc2C(C)CC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.39
OPRM1 P35372 7/20 0.34
OPRK1 P41145 7/20 0.34
OPRD1 P41143 6/20 0.34
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
TLR8 Q9NR97 2/20 0.33
MAPT P10636 2/20 0.33
ALDH1A1 P00352 1/20 0.32
SIGMAR1 Q99720 4/20 0.32

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
SCHEMBL9847673 1.00 DRD2 (0.41) DRD2DRD4KDM4EOPRM1OPRK1
SCHEMBL6141223 0.95 DRD2 (0.43) DRD2DRD4KDM4EOPRM1OPRK1
SCHEMBL10233648 0.86 DRD2 (0.44) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL8942319 0.84 DRD2 (0.46) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL30887165 0.83 DRD2 (0.46) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL11183111 0.83 DRD2 (0.46) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL596045 0.83 DRD2 (0.46) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL11420280 0.83 CRHBP (0.42) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL10886763 0.81 CRHBP (0.43) DRD2DRD4KDM4ECRHBPCRHR2
SCHEMBL9777037 0.81 DRD2 (0.42) DRD2DRD4KDM4EOPRM1OPRD1

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-0434611-A2 Azo dyestuffs, their preparation and their use CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed