SCHEMBL7394635

SCHEMBL7394635

CC1(NC(=O)OC(C)(C)C)CCN(c2cccc(Cl)n2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 3/20 0.46
HTR3B O95264 3/20 0.46
HTR3A P46098 3/20 0.46
HTR3D Q70Z44 3/20 0.46
HTR3C Q8WXA8 3/20 0.46
RET P07949 8/20 0.43
ALDH1A1 P00352 1/20 0.43
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
KMT2A Q03164 1/20 0.41
GAA P10253 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HDAC3 O15379 4/20 0.38
HDAC4 P56524 4/20 0.38
HDAC1 Q13547 4/20 0.38
HDAC7 Q8WUI4 4/20 0.38

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
SCHEMBL7391819 0.84 TRPV1 (0.44) RETRAF1
SCHEMBL7393573 0.84 HTR3E (0.51) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL7395341 0.84 RET (0.45) RETALDH1A1MEN1CYP1A2KMT2A
SCHEMBL7394146 0.81 PANK3 (0.42) RETRAF1CNR1CNR2
SCHEMBL20069375 0.80 RET (0.47) RETHDAC3HDAC4HDAC1HDAC7
SCHEMBL29686486 0.80 RET (0.47) RETHDAC3HDAC4HDAC1HDAC7
SCHEMBL28704572 0.80 RET (0.45) RETHDAC3HDAC4HDAC1HDAC7
SCHEMBL30531745 0.80 RET (0.45) RETHDAC3HDAC4HDAC1HDAC7
SCHEMBL30531761 0.80 RET (0.45) RETCKS1BSKP1SKP2RAF1
SCHEMBL18291254 0.79 RET (0.45) RETMEN1KMT2ARAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723611-A Heteroarylpiperidines SANOFI (FR) 1998-03-03 US disclosed
US-5595994-A 1-Halopyrazin- and 1-halopyrimidin-4-amino-4-alkylpiperidines SANOFI (FR) 1997-01-21 US disclosed
US-5502063-A 1-halopyridin-4-amino-4-alkylpiperidines SANOFI (FR) 1996-03-26 US disclosed
EP-0647639-A1 Heteroarylpiperidines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-04-12 EP disclosed