SCHEMBL8893362

SCHEMBL8893362

[CH2]C(C)(Cc1c[nH]c2ccccc12)C(=O)NCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.66
NMBR P28336 1/20 0.59
MEN1 O00255 2/20 0.54
TSHR P16473 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PKM P14618 1/20 0.54
CYP2C19 P33261 1/20 0.54
BLM P54132 1/20 0.54
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
CYP3A4 P08684 1/20 0.54
MAPT P10636 1/20 0.54
ALOX15 P16050 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53

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
SCHEMBL9613706 0.90 CCKBR (0.56) CCKBRNMBRMEN1TSHRKMT2A
SCHEMBL8704488 0.88 CCKBR (0.62) CCKBRNMBRMEN1TSHRKMT2A
SCHEMBL8893039 0.87 CCKBR (0.63) CCKBRNMBRMEN1TSHRKMT2A
SCHEMBL6888831 0.86 CCKBR (0.66) CCKBRNMBRMEN1TSHRKMT2A
SCHEMBL6892425 0.84 CCKBR (0.78) CCKBRNMBR
SCHEMBL8486077 0.83 CCKBR (0.61) CCKBRNMBRMEN1TSHRKMT2A
SCHEMBL10625409 0.82 CCKBR (0.84) CCKBRNMBR
SCHEMBL10625722 0.79 CCKBR (0.70) CCKBRNMBRMEN1TSHRKMT2A
SCHEMBL8893462 0.78 ACE (0.50) MEN1TSHRKMT2AALDH1A1KDM4E
SCHEMBL10625385 0.78 CCKBR (0.69) CCKBRNMBR

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
US-5593967-A Cholecystokinin antagonists, their preparation and therapeutic use WARNER-LAMBERT COMPANY (US) 1997-01-14 US disclosed
EP-0547178-A4 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER LAMBERT CO (US) 1994-07-06 EP disclosed
EP-0547178-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1993-06-23 EP disclosed
WO-1992004045-A1 NOVEL CHOLECYSTOKININ ANTAGONISTS, THEIR PREPARATION AND THERAPEUTIC USE WARNER-LAMBERT COMPANY (US) 1992-03-19 WO disclosed