SCHEMBL11380640

SCHEMBL11380640

COc1cccc(C(c2ccccc2)N2CCC(/N=C\c3ccc4c(c3)OCO4)CC2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HPGD P15428 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ OPRL1 P41146 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ HTT P42858 1/20 0.41
▸ RAB9A P51151 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ SMAD3 P84022 1/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39

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
SCHEMBL11380661 1.00 MAPT (0.57) MAPTMAPK1HPGDALDH1A1KDM4E
SCHEMBL11382811 0.94 MAPT (0.49) MAPTMAPK1HPGDALDH1A1KDM4E
SCHEMBL11382816 0.94 MAPT (0.49) MAPTMAPK1HPGDALDH1A1KDM4E
SCHEMBL11372850 0.89 MAPT (0.69) MAPTMAPK1HPGDALDH1A1KDM4E
SCHEMBL11372847 0.89 MAPT (0.69) MAPTMAPK1HPGDALDH1A1KDM4E
SCHEMBL11373141 0.87 MAPT (0.60) MAPTMAPK1HPGDALDH1A1LMNA
SCHEMBL11373142 0.87 MAPT (0.60) MAPTMAPK1HPGDALDH1A1LMNA
SCHEMBL11375006 0.87 OPRD1 (0.49) MAPTALDH1A1LMNAOPRM1OPRD1
SCHEMBL11375005 0.87 OPRD1 (0.49) MAPTALDH1A1LMNAOPRM1OPRD1
SCHEMBL11376406 0.83 MAPT (0.59) MAPTMAPK1HPGDALDH1A1KDM4E

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-4267318-A 1-(Diarylmethyl)-4-piperidinamine and derivatives thereof G. D. SEARLE & CO. (US) 1981-05-12 — — US disclosed
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