SCHEMBL9804346

SCHEMBL9804346

O=c1c2ccccc2cnn1CCN1CCC(=C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.56
▸ DGKA P23743 3/20 0.56
▸ HIF1A Q16665 3/20 0.56
▸ DGKG P49619 1/20 0.56
▸ TP53 P04637 3/20 0.47
▸ CYP2D6 P10635 3/20 0.47
▸ CYP2C9 P11712 3/20 0.47
▸ TSHR P16473 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ ALOX15 P16050 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CYP2C19 P33261 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ NPC1 O15118 2/20 0.46
▸ PKM P14618 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD4 P21917 2/20 0.46

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
Hydrochloric Acid SCHEMBL9630532 0.99 MAPT (0.55) MAPTDGKAHIF1ADGKGTP53
Hydrochloric Acid SCHEMBL9874132 0.81 HTR2A (0.57) MAPTHIF1ATP53CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL9871592 0.76 HTR2A (0.47) MAPTCYP2C9ALDH1A1LMNACYP2C19
SCHEMBL9253169 0.73 MAPT (0.54) MAPTDGKAHIF1ADGKGTP53
Hydrochloric Acid SCHEMBL9382804 0.72 MAPT (0.47) MAPTDGKAHIF1ADGKGTP53
Diacylglycerol Kinase Inhibitor Ii SCHEMBL317664 0.72 MAPT (1.00) MAPTDGKAHIF1ADGKGTP53
SCHEMBL9632595 0.71 MAPT (0.48) MAPTDGKAHIF1ADGKGTP53
SCHEMBL8597120 0.71 HTR1A (0.51) NPC1PKMRAB9ADRD2HTR2A
SCHEMBL29703239 0.71 TDP1 (0.69) MAPTALDH1A1LMNATDP1KDM4E
SCHEMBL7894526 0.71 TDP1 (0.69) MAPTALDH1A1LMNATDP1KDM4E

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
US-5028607-A Antiserotonine agents ADIR ET COMPAGNIE (FR) 1991-07-02 — — US claimed
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