SCHEMBL7364367

SCHEMBL7364367

COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(C)c1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PRMT1 Q99873 1/20 0.64
▸ ALDH1A1 P00352 7/20 0.60
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ LMNA P02545 3/20 0.59
▸ KDM4E B2RXH2 2/20 0.57
▸ NPSR1 Q6W5P4 1/20 0.57
▸ MAPT P10636 3/20 0.56
▸ NPC1 O15118 1/20 0.54
▸ CYP1A2 P05177 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ HPGD P15428 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ ATM Q13315 1/20 0.51
▸ NPY2R P49146 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL7985074 0.84 PRMT1 (0.57) PRMT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4653292 0.81 MAPT (0.66) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL7388920 0.81 ALDH1A1 (0.65) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL3348190 0.80 ALDH1A1 (0.58) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10
SCHEMBL25235110 0.80 NPC1 (0.54) ALDH1A1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL30863572 0.79 WDR5 (0.56) ALDH1A1KMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL26472479 0.79 WDR5 (0.56) ALDH1A1KMT2ASMN1; SMN2HSD17B10LMNA
SCHEMBL4520079 0.79 ALDH1A1 (0.68) PRMT1ALDH1A1MEN1KMT2AHSD17B10
SCHEMBL24478835 0.78 PRMT1 (1.00) PRMT1ALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL27040179 0.78 HTR7 (0.62) ALDH1A1MEN1KMT2ASMN1; SMN2HSD17B10

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-0892783-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION Dr. Karl Thomae GmbH (DE) 1999-01-27 — — EP disclosed
WO-1997037975-A1 CARBOXYLIC ACID DERIVATIVES WITH AN AGGREGATION-INHIBITING ACTION DR. KARL THOMAE GMBH (DE) 1997-10-16 — — WO disclosed
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