SCHEMBL20141624

SCHEMBL20141624

Cc1cc(C)c(N(c2ccccc2Cl)C2CCNCC2)cc1C(=O)N1CCN(c2ccc(F)cn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
LMNA P02545 4/20 0.42
HTT P42858 3/20 0.42
TP53 P04637 2/20 0.40
P2RX7 Q99572 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HSD17B10 Q99714 2/20 0.39
HPGD P15428 1/20 0.39
MAPT P10636 2/20 0.38
GAA P10253 1/20 0.37
FASN P49327 1/20 0.37
SMO Q99835 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GBA1 P04062 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
SCHEMBL20141054 0.80 MTOR (0.48) SMN1; SMN2LMNATP53ALDH1A1MAPT
SCHEMBL20141253 0.78 TSHR (0.43) SMN1; SMN2LMNAHTTTP53ALDH1A1
SCHEMBL20133647 0.74 MTOR (0.58) KDM4ESMN1; SMN2LMNAHTTTP53
SCHEMBL20140581 0.70 KDM4E (0.52) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL20141023 0.70 EED (0.45) KDM4ESMN1; SMN2LMNAHTTALDH1A1
SCHEMBL20141164 0.69 MTOR (0.46) LMNATP53ALDH1A1MAPT
SCHEMBL20141263 0.69 MTOR (0.46) LMNAHTTMAPT
SCHEMBL20140929 0.68 MTOR (0.57) KDM4ELMNATP53ALDH1A1
SCHEMBL20140938 0.67 MTOR (0.63) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL20141254 0.67 MTOR (0.53) KDM4EALDH1A1HSD17B10CYP2C9CYP2C19

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-3538091-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF Navitor Pharmaceuticals, Inc. (US) 2019-09-18 EP disclosed
WO-2018089499-A1 PHENYL AMINO PIPERIDINE mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 WO disclosed