SCHEMBL13636688

SCHEMBL13636688

COc1ccc(NCc2ccc3ccccc3c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.65
GAA P10253 3/20 0.65
ALDH1A1 P00352 3/20 0.65
KDM4E B2RXH2 2/20 0.65
TDP1 Q9NUW8 1/20 0.65
NPC1 O15118 2/20 0.59
RAB9A P51151 2/20 0.59
L3MBTL1 Q9Y468 2/20 0.59
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
PPARG P37231 1/20 0.58
HIF1A Q16665 3/20 0.57
FFAR1 O14842 2/20 0.57
LMNA P02545 1/20 0.56
TUBB4A P04350 1/20 0.56
TUBB P07437 1/20 0.56
TUBA3C P0DPH7 1/20 0.56
TUBA1B P68363 1/20 0.56
TUBA4A P68366 1/20 0.56
TUBB4B P68371 1/20 0.56

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
SCHEMBL30437396 0.90 NPC1 (0.65) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL13451639 0.84 PPARG (0.63) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL28392967 0.83 HTT (0.62) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL20036943 0.83 INSR (0.75) ALDH1A1NPC1RAB9AHIF1AFFAR1
SCHEMBL29606754 0.83 FFAR1 (0.67) MAPTMEN1KMT2AFFAR1CYP1A2
SCHEMBL9093298 0.83 FFAR1 (0.67) MAPTMEN1KMT2AFFAR1CYP1A2
SCHEMBL28964166 0.83 MAPT (0.59) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL30301281 0.83 MAPT (0.59) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL1844199 0.82 MAPT (0.82) MAPTGAAALDH1A1KDM4ETDP1
SCHEMBL10055019 0.82 MAPT (0.82) MAPTGAAALDH1A1KDM4ETDP1

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-0931060-B1 SUBSTITUTED N- (AMINOIMINOMETHYL OR AMINOMETHYL)PHENYL PROPYL AMIDES AVENTIS PHARMA INC (US) 2009-11-25 EP disclosed