SCHEMBL7101341

SCHEMBL7101341

COc1ccc2ncc(Cl)c(CCCC3(C(=O)NCCCc4ccccc4)CCNCC3)c2c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 1/20 0.43
KCNH2 Q12809 4/20 0.43
MTNR1A P48039 3/20 0.41
GSR P00390 3/20 0.40
MTNR1B P49286 3/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.38
SLC2A1 P11166 1/20 0.37
PLA2G2A P14555 1/20 0.37

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
SCHEMBL5706815 0.85 KCNH2 (0.40) MAPTSMN1; SMN2TP53KCNH2ALDH1A1
SCHEMBL6143315 0.85 KCNH2 (0.42) MAPTSMN1; SMN2TP53KCNH2ALDH1A1
SCHEMBL7100020 0.85 KCNH2 (0.36) MAPTSMN1; SMN2TP53KCNH2MTNR1A
Hydrochloric Acid SCHEMBL6148339 0.84 KCNH2 (0.42) MAPTSMN1; SMN2TP53KCNH2ALDH1A1
SCHEMBL445305 0.81 MAPT (0.40) MAPTSMN1; SMN2TP53KCNH2ALDH1A1
SCHEMBL6146565 0.81 KCNH2 (0.52) MAPTSMN1; SMN2TP53KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL6143500 0.81 MAPT (0.39) MAPTSMN1; SMN2TP53KCNH2ALDH1A1
Hydrochloric Acid SCHEMBL6144948 0.81 MAPT (0.39) MAPTSMN1; SMN2TP53KCNH2ALDH1A1
SCHEMBL6145308 0.80 KCNH2 (0.52) MAPTSMN1; SMN2TP53KCNH2ALDH1A1
SCHEMBL5706906 0.79 KCNH2 (0.55) MAPTSMN1; SMN2TP53KCNH2ALDH1A1

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-1337529-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES, THEIR PREPARATION AND COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2003-08-27 EP disclosed
WO-2002040474-A2 HETEROCYCLYLALKYL PIPERIDINE DERIVATIVES AND THEIR USE AS ANTIMICROBIAL AGENTS AVENTIS PHARMA S.A. (FR) 2002-05-23 WO disclosed