SCHEMBL9256528

SCHEMBL9256528

CC1CN(C(c2ccccc2F)c2ccccc2F)C(C)C[N]1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DGKA P23743 1/20 0.34
▸ DGKZ Q13574 1/20 0.34
▸ OPRD1 P41143 3/20 0.34
▸ OPRM1 P35372 2/20 0.34
▸ OPRK1 P41145 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ MCOLN2 Q8IZK6 2/20 0.33
▸ TP53 P04637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ IDO1 P14902 1/20 0.30
▸ TDO2 P48775 1/20 0.30
▸ CHRNB2 P17787 1/20 0.30
▸ CHRNB4 P30926 1/20 0.30
▸ CHRNA3 P32297 1/20 0.30

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
SCHEMBL9253418 0.92 OPRL1 (0.40) DGKADGKZOPRD1OPRM1OPRK1
SCHEMBL9252941 0.78 OPRD1 (0.48) OPRD1OPRM1OPRK1OPRL1CYP3A4
SCHEMBL9253427 0.77 OPRD1 (0.42) DGKADGKZOPRD1OPRM1OPRK1
SCHEMBL9256532 0.76 SIGMAR1 (0.38) DGKADGKZOPRD1OPRM1OPRK1
SCHEMBL9253761 0.59 OPRM1 (0.54) OPRD1OPRM1OPRK1OPRL1ALDH1A1
SCHEMBL1047912 0.57 CES2 (0.44) MEN1ALDH1A1CYP3A4MAPTCYP2C9
Ethylene SCHEMBL27820289 0.57 GABRA1 (0.46) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL15903486 0.57 ACHE (0.43) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL31852251 0.57 GABRA1 (0.50) MEN1ALDH1A1CYP3A4MAPTCYP2C9
SCHEMBL84442 0.57 GABRA1 (0.50) MEN1ALDH1A1CYP3A4MAPTCYP2C9

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
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