SCHEMBL4976899

SCHEMBL4976899

[CH2]C(=O)NC1CCN(Cc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.70
MEN1 O00255 1/20 0.70
KMT2A Q03164 1/20 0.70
MCHR1 Q99705 2/20 0.64
TEAD1 P28347 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
CCR1 P32246 1/20 0.53
CCR3 P51677 1/20 0.53
LMNA P02545 1/20 0.53
TP53 P04637 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
POLB P06746 1/20 0.52

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
SCHEMBL4975569 0.89 SIGMAR1 (0.57) SIGMAR1MEN1KMT2AMCHR1TEAD1
SCHEMBL6312739 0.88 SIGMAR1 (0.76) SIGMAR1MEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL12511819 0.87 SIGMAR1 (0.70) SIGMAR1MEN1KMT2AMCHR1TEAD1
SCHEMBL4214471 0.86 TEAD1 (0.73) SIGMAR1MEN1KMT2AMCHR1TEAD1
SCHEMBL2213082 0.86 SIGMAR1 (0.76) SIGMAR1MEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL7487718 0.85 SIGMAR1 (0.74) SIGMAR1MEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL4034602 0.83 SIGMAR1 (0.83) SIGMAR1MEN1KMT2AMCHR1
SCHEMBL4039758 0.83 KMT2A (0.65) SIGMAR1MEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL6327856 0.83 SIGMAR1 (0.71) SIGMAR1MEN1KMT2AMCHR1SMN1; SMN2
SCHEMBL28996046 0.82 SIGMAR1 (0.74) SIGMAR1KMT2AMCHR1MAPK1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994002-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AstraZeneca AB (SE) 2008-11-26 EP disclosed
WO-2007102767-A1 PIPERIDINE DERIVATIVES, THEIR PROCESS FOR PREPARATION, THEIR USE AS THERAPEUTIC AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRAZENECA AB (SE) 2007-09-13 WO disclosed