SCHEMBL9253356

SCHEMBL9253356

NCCCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.46
MAPT P10636 2/20 0.46
DGKA P23743 2/20 0.46
DGKG P49619 1/20 0.46
DRD2 P14416 2/20 0.46
DRD4 P21917 2/20 0.46
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR2B P41595 1/20 0.46
OPRM1 P35372 2/20 0.44
OPRK1 P41145 2/20 0.44
OPRD1 P41143 1/20 0.44
TP53 P04637 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C9 P11712 2/20 0.43
TSHR P16473 2/20 0.43
NFKB1 P19838 2/20 0.43
CYP2C19 P33261 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL9250144 0.91 DRD2 (0.51) HIF1AMAPTDGKADGKGDRD2
SCHEMBL9249824 0.84 SETD7 (0.57) OPRM1OPRK1OPRD1CYP2D6HTR7
SCHEMBL9379143 0.83 MAPT (0.49) HIF1AMAPTDGKADGKGDRD2
SCHEMBL9632595 0.81 MAPT (0.48) HIF1AMAPTDGKADGKGDRD2
SCHEMBL16481498 0.80 OPRM1 (0.52) HIF1AMAPTDGKADGKGDRD2
SCHEMBL8316991 0.80 OPRM1 (0.52) HIF1AMAPTDGKADGKGDRD2
SCHEMBL9252997 0.80 SETD7 (0.56) OPRM1OPRK1OPRD1CYP2D6SIGMAR1
Hydrochloric Acid SCHEMBL9632502 0.80 MAPT (0.47) HIF1AMAPTDGKADGKGDRD2
SCHEMBL13904315 0.79 HTR2A (0.61) DRD2HTR2AHTR2BCYP3A4CYP2D6
SCHEMBL9382842 0.79 HTR1A (0.65) DRD2DRD4HTR2AHTR2CCYP3A4

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
US-5470851-A Antihistamine, anticoagulants SANKYO COMPANY, LIMITED (JP) 1995-11-28 US disclosed
EP-0463873-A1 Thiazolidinecarboxylic acid amide derivatives having anti-allergic activity, their preparation and their use Sankyo Company Limited (JP) 1992-01-02 EP disclosed