SCHEMBL11190019

SCHEMBL11190019

CC1CN(c2ccc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)CC(C)S1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.45
▸ LMNA P02545 2/20 0.45
▸ DNMT3A Q9Y6K1 1/20 0.44
▸ TP53 P04637 2/20 0.43
▸ HTR7 P34969 1/20 0.43
▸ MCHR1 Q99705 1/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42
▸ HDAC6 Q9UBN7 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ GFER P55789 1/20 0.41
▸ NLRP3 Q96P20 1/20 0.41

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
SCHEMBL11164561 0.89 MAPT (0.46) MAPTLMNADNMT3AMCHR1NPC1
SCHEMBL11164525 0.89 MAPT (0.46) MAPTLMNADNMT3AMCHR1NPC1
SCHEMBL11199912 0.88 NPC1 (0.45) MAPTLMNADNMT3AMCHR1NPC1
SCHEMBL11191065 0.85 MAPT (0.54) MAPTLMNADNMT3ATP53MCHR1
SCHEMBL11193046 0.84 MAPT (0.53) MAPTLMNATP53MCHR1NPC1
SCHEMBL11441498 0.83 MCHR1 (0.56) MAPTLMNADNMT3AMCHR1NPC1
SCHEMBL11201219 0.83 MAPT (0.48) MAPTLMNADNMT3ATP53MCHR1
SCHEMBL11165965 0.83 MCHR1 (0.55) MAPTLMNAMCHR1CYP2D6
SCHEMBL11165531 0.83 MCHR1 (0.55) MAPTLMNAMCHR1CYP2D6
SCHEMBL10356773 0.83 MCHR1 (0.55) MAPTLMNAMCHR1CYP2D6

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
EP-0023569-B1 DERIVATIVES OF CARBOXYLIC ACIDS, THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1983-06-22 — — EP disclosed
EP-0023569-A1 Derivatives of carboxylic acids, their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1981-02-11 — — EP disclosed
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