SCHEMBL6973757

SCHEMBL6973757

N#CCC(=O)C1NCCc2cc(N)ccc21

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TBXA2R P21731 3/20 0.40
▸ TSHR P16473 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ KDM1A O60341 5/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ ATAD2 Q6PL18 1/20 0.35
▸ SLC6A2 P23975 2/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ ADRB2 P07550 3/20 0.34
▸ ADRB1 P08588 1/20 0.34
▸ ADRB3 P13945 1/20 0.34
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ CA14 Q9ULX7 1/20 0.33

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
SCHEMBL6969520 0.81 TBXA2R (0.39) TBXA2RTSHRNPSR1KDM1ASLC6A2
SCHEMBL6968049 0.80 TSHR (0.47) TBXA2RTSHRNPSR1KDM1ASLC6A2
SCHEMBL6969832 0.79 CA1 (0.38) TBXA2RTSHRNPSR1KDM1ASLC6A2
SCHEMBL8473162 0.78 TBXA2R (0.42) TBXA2RTSHRNPSR1KDM1AADRB2
SCHEMBL8470780 0.78 TBXA2R (0.42) TBXA2RTSHRNPSR1KDM1AADRB2
SCHEMBL6973488 0.77 TSHR (0.44) TBXA2RTSHRNPSR1KDM1ASLC6A2
SCHEMBL8471637 0.76 OPRM1 (0.42) TBXA2RTSHRNPSR1
SCHEMBL6967844 0.76 OPRM1 (0.42) TBXA2RTSHRNPSR1
SCHEMBL6966660 0.76 TSHR (0.40) TBXA2RTSHRNPSR1SLC6A2SLC6A4
SCHEMBL6967406 0.75 TSHR (0.42) TBXA2RTSHRNPSR1KDM1ASLC6A2

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 5 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
US-5919795-A ATHEROSCLEROSIS THERAPY PFIZER INC. (US) 1999-07-06 — — US 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
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