SCHEMBL11178554

SCHEMBL11178554

O=C(O)c1ccc(CCNC(=O)c2cc(Cl)ccc2N2CCC(c3ccccc3)CC2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.52
▸ LMNA P02545 6/20 0.52
▸ MCHR1 Q99705 3/20 0.44
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CCR1 P32246 1/20 0.44
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TNKS O95271 1/20 0.43
▸ TNKS2 Q9H2K2 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ CXCR3 P49682 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ HPGD P15428 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
SCHEMBL11193056 0.88 MAPT (0.46) MAPTLMNAMCHR1SMN1; SMN2TP53
SCHEMBL11182439 0.87 LMNA (0.48) MAPTLMNAMCHR1SMN1; SMN2TP53
SCHEMBL11191065 0.87 MAPT (0.54) MAPTLMNAMCHR1SMN1; SMN2TP53
SCHEMBL11197083 0.86 MAPT (0.52) MAPTLMNAMCHR1SMN1; SMN2TP53
SCHEMBL11441498 0.86 MCHR1 (0.56) MAPTLMNAMCHR1SMN1; SMN2NPC1
SCHEMBL11165965 0.85 MCHR1 (0.55) MAPTLMNAMCHR1CXCR3TSHR
SCHEMBL10356773 0.85 MCHR1 (0.55) MAPTLMNAMCHR1CXCR3TSHR
SCHEMBL11165531 0.85 MCHR1 (0.55) MAPTLMNAMCHR1CXCR3TSHR
SCHEMBL11214411 0.85 LMNA (0.43) MAPTLMNAMCHR1NPC1RAB9A
SCHEMBL11199855 0.85 DNMT3A (0.48) MAPTLMNAMCHR1MAPK1POLB

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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