SCHEMBL9683424

SCHEMBL9683424

CN1c2ccccc2C(c2ccccc2F)NCC1CNc1ccc(Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 2/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
CACNA1G O43497 1/20 0.34
PTAFR P25105 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
OPRK1 P41145 1/20 0.32
CES1 P23141 1/20 0.31
LMNA P02545 2/20 0.31
NPC1 O15118 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ADRB1 P08588 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30

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
SCHEMBL9682641 0.85 CCKBR (0.37) CCKBRMEN1KMT2AHTR2AHTR2C
SCHEMBL9499330 0.83 CCKBR (0.58) CCKBRMEN1KMT2AOPRK1NPC1
SCHEMBL9499432 0.75 OPRM1 (0.49) CCKBROPRK1NPC1RAB9A
SCHEMBL9500460 0.71 OPRD1 (0.60) CCKBROPRK1
SCHEMBL9501442 0.70 CCKBR (0.62) CCKBRMEN1KMT2AHTR2COPRK1
SCHEMBL9501463 0.68 LMNA (0.52) CCKBRKMT2ALMNAMAPTSMN1; SMN2
SCHEMBL9501031 0.67 CCKBR (0.64) CCKBRHTR2AOPRK1TP53SMN1; SMN2
SCHEMBL9501458 0.63 ALDH1A1 (0.36) CCKBRMEN1KMT2ALMNANPC1
SCHEMBL11683129 0.61 HTR2C (0.46) MEN1KMT2APTAFRHTR2AHTR2C
SCHEMBL30465833 0.59 PTAFR (0.42) MEN1KMT2APTAFRHTR2AHTR2C

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0486271-A2 Cholecystokinin antagonists for treating neurological disorders MERCK & CO. INC. (US) 1992-05-20 EP disclosed