SCHEMBL6605083

SCHEMBL6605083

NCCN(Cc1ccc(Cl)cc1)C(=O)C1CCNCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SLC6A2 P23975 3/20 0.42
SLC6A4 P31645 3/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
SLC6A3 Q01959 1/20 0.42
MBTPS1 Q14703 2/20 0.42
CNR2 P34972 2/20 0.41
GAA P10253 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
CCR1 P32246 1/20 0.40
CCR5 P51681 1/20 0.39
GHSR Q92847 2/20 0.38
MC4R P32245 1/20 0.36
MC5R P33032 1/20 0.36
MC3R P41968 1/20 0.36

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
SCHEMBL2262428 0.87 MEN1 (0.67) MEN1KMT2AGAAKDM4ELMNA
SCHEMBL5889435 0.75 MEN1 (0.69) MEN1KMT2ASLC6A2SLC6A4GAA
SCHEMBL19554727 0.75 MEN1 (0.68) MEN1KMT2AGAAKDM4ELMNA
Hydrochloric Acid SCHEMBL28528536 0.74 MEN1 (0.67) MEN1KMT2AGAAKDM4ELMNA
SCHEMBL12449803 0.73 ALDH1A1 (0.52) MEN1KMT2ACYP3A4CNR2KDM4E
SCHEMBL5309035 0.71 MEN1 (0.51) MEN1KMT2ACNR2LMNACCR1
SCHEMBL15745972 0.71 AKT1 (0.53) KMT2ACYP2D6GAALMNA
SCHEMBL8791707 0.70 MEN1 (0.61) MEN1KMT2AKDM4ELMNA
SCHEMBL4189434 0.70 LMNA (0.50) MEN1KMT2ACYP3A4LMNA
SCHEMBL12575203 0.70 ALDH1A1 (0.43) MEN1KMT2ASLC6A2CYP3A4CYP2D6

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-1181278-B1 CYCLIC AMINE DERIVATIVES AND THEIR USES BRISTOL MYERS SQUIBB PHARMA RE (US) 2004-09-29 EP disclosed