SCHEMBL11676749

SCHEMBL11676749

CCC(CN(CC)c1ccccc1)Oc1cccc(C)c1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.43
▸ TSHR P16473 1/20 0.37
▸ OPRM1 P35372 1/20 0.37
▸ OPRD1 P41143 1/20 0.37
▸ ACHE P22303 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36
▸ CETP P11597 2/20 0.36
▸ THRB P10828 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 1/20 0.36

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
SCHEMBL11677239 0.87 TSHR (0.44) MAPTTSHR
SCHEMBL11676747 0.85 SLC6A4 (0.42) MAPT
SCHEMBL11676284 0.85 TSHR (0.40) MAPTTSHRHTTTDP1
SCHEMBL11671514 0.84 MAPT (0.43) MAPTOPRM1OPRD1ACHEHTT
SCHEMBL11670194 0.79 KMT2A (0.39) MAPTHTTTP53LMNA
SCHEMBL11677645 0.79 CNR2 (0.44) MAPTTSHRLMNA
SCHEMBL11678793 0.79 MAPT (0.42) MAPTTSHRACHEPKM
SCHEMBL13791526 0.79 ACHE (0.52) ACHETDP1LMNA
SCHEMBL11677277 0.78 PPARG (0.43) TSHRTP53
SCHEMBL11676210 0.78 PPARG (0.41) MAPTTSHRHTT

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-4051117-A Triazole-azo-phenyl cationic dyestuffs BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
US-4051084-A BENZOTHIAZOLE BAYER AKTIENGESELLSCHAFT (DT) 1977-09-27 — — US disclosed
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