SCHEMBL11308466

SCHEMBL11308466

C[C@@H]1C[C@H](C)CN(c2ncc(Cl)cc2C(=O)NCCc2ccc(C(=O)O)cc2)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 6/20 0.45
▸ MAPT P10636 6/20 0.45
▸ NPC1 O15118 5/20 0.45
▸ SMN1; SMN2 Q16637 4/20 0.45
▸ ALDH1A1 P00352 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 3/20 0.43
▸ TSHR P16473 2/20 0.43
▸ PTGER4 P35408 1/20 0.42
▸ PTGER2 P43116 1/20 0.42
▸ HSD17B10 Q99714 2/20 0.41
▸ CXCR3 P49682 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL11304640 0.84 HSD17B10 (0.57) RAB9AMAPTSMN1; SMN2TP53LMNA
SCHEMBL11164525 0.83 MAPT (0.46) RAB9AMAPTNPC1SMN1; SMN2HPGD
SCHEMBL11164561 0.83 MAPT (0.46) RAB9AMAPTNPC1SMN1; SMN2HPGD
SCHEMBL11280244 0.78 OPRK1 (0.43) RAB9ANPC1SMN1; SMN2ALDH1A1HPGD
SCHEMBL11193046 0.75 MAPT (0.53) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL11191065 0.74 MAPT (0.54) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL11199912 0.73 NPC1 (0.45) RAB9AMAPTNPC1SMN1; SMN2KDM4E
SCHEMBL11190019 0.73 MAPT (0.45) RAB9AMAPTNPC1SMN1; SMN2TP53
SCHEMBL11303345 0.73 TSHR (0.57) RAB9AMAPTNPC1SMN1; SMN2ALDH1A1
SCHEMBL31171346 0.72 RAB9A (0.56) RAB9AMAPTNPC1SMN1; SMN2KDM4E

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-0056144-A1 Carboxylic acid derivatives, their preparation and use as pharmaceuticals Dr. Karl Thomae GmbH (DE) 1982-07-21 — — EP disclosed
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