SCHEMBL6970150

SCHEMBL6970150

CC1(C)C2CC=C(CN3CCc4c[c]ccc4C3C(N)=O)C1C2

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR3 P49682 16/20 0.46
KDM4E B2RXH2 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.35

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
SCHEMBL6969257 0.75 SMN1; SMN2 (0.39) KDM4EMAPK1KMT2ASMN1; SMN2POLB
SCHEMBL6972428 0.74 DRD2 (0.35) KDM4EKMT2ACYP2D6
SCHEMBL6966047 0.74 ESR1 (0.37) KMT2ASMN1; SMN2GAA
SCHEMBL6973731 0.74 ACACB (0.40) HTTKMT2ASMN1; SMN2CYP2D6
SCHEMBL2844016 0.74 MTNR1A (0.38) MAPK1
SCHEMBL6968027 0.74 PARP1 (0.35) KDM4ETSHRMAPK1KMT2A
SCHEMBL6962637 0.73 GAA (0.39) HTTTDP1KMT2APOLBGAA
SCHEMBL6962344 0.73 KDM4E (0.39) KDM4ETSHRHTTSMN1; SMN2POLB
SCHEMBL6970691 0.72 KDM4E (0.32) KDM4E
SCHEMBL6969207 0.72 SIRT2 (0.39) SMN1; SMN2CYP2D6

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 4 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
EP-0832069-A1 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 INC. (US) 1998-04-01 EP disclosed
WO-1996040640-A1 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 INC. (US) 1996-12-19 WO disclosed