SCHEMBL6962490

SCHEMBL6962490

Nc1ccc2c(c1)CCN(C(=O)Cc1cccc(Cl)c1)C2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.56
▸ MEN1 O00255 2/20 0.56
▸ NPC1 O15118 3/20 0.49
▸ ERCC1 P07992 1/20 0.48
▸ ERCC4 Q92889 1/20 0.48
▸ RAB9A P51151 2/20 0.47
▸ ATM Q13315 1/20 0.46
▸ CASP3 P42574 1/20 0.45
▸ SENP8 Q96LD8 1/20 0.45
▸ SENP7 Q9BQF6 1/20 0.45
▸ SENP6 Q9GZR1 1/20 0.45
▸ LMNA P02545 1/20 0.44
▸ HDAC8 Q9BY41 2/20 0.43
▸ PARP1 P09874 1/20 0.43
▸ NR1H2 P55055 1/20 0.43
▸ PDE4B Q07343 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6965569 0.87 NPC1 (0.53) KMT2AMEN1NPC1ERCC1ERCC4
SCHEMBL6966787 0.83 KMT2A (0.60) KMT2AMEN1NPC1RAB9ANR1H2
SCHEMBL6973354 0.83 KMT2A (0.57) KMT2AMEN1NPC1RAB9ANR1H2
SCHEMBL6968137 0.81 NPC1 (0.53) KMT2AMEN1NPC1RAB9ALMNA
SCHEMBL6962981 0.81 ERCC1 (0.73) KMT2AERCC1ERCC4HDAC8NR1H2
SCHEMBL6974709 0.80 NPC1 (0.57) KMT2AMEN1NPC1RAB9ANR1H2
SCHEMBL6970730 0.80 NPC1 (0.53) KMT2AMEN1NPC1RAB9ANR1H2
SCHEMBL6974651 0.78 CYP1A2 (0.47) KMT2AMEN1NPC1ERCC1ERCC4
SCHEMBL6961304 0.77 ALDH1A1 (0.53) KMT2AMEN1NPC1POLBHPGD
SCHEMBL6972464 0.77 SIGMAR1 (0.52) KMT2AMEN1ATMHPGD

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-0832069-B1 BIPHENYL-2-CARBOXYLIC ACID-TETRAHYDRO-ISOQUINOLIN-6-YL AMIDE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS INHIBITORS OF MICROSOMAL TRIGLYCERIDE TRANSFER PROTEIN AND/OR APOLIPOPROTEIN B (Apo B) SECRETION PFIZER (US) 2003-03-05 — — EP disclosed
EP-1181954-A2 Biphenyl-2-carboxylic acid-tetrahydro-isoquinolin-6-yl amide derivatives, their preparation and use as inhibitors of microsomal triglyceride transfer protein and/or apolipoprotein B (ApoB) secretion PFIZER INC. (US) 2002-02-27 — — EP disclosed
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