SCHEMBL27635120

SCHEMBL27635120

Cc1ccc(C2CCCN(C(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)cc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 3/20 0.48
ALDH1A1 P00352 4/20 0.47
NPC1 O15118 1/20 0.47
GAA P10253 1/20 0.47
CHRM4 P08173 1/20 0.43
NR1H4 Q96RI1 1/20 0.40
CNR1 P21554 1/20 0.40
MEN1 O00255 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
FFAR1 O14842 1/20 0.39
POLB P06746 1/20 0.39
PKM P14618 1/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
PDE2A O00408 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL28754207 0.91 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL27616088 0.91 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL27616094 0.91 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4028701 0.90 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4032748 0.90 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4029357 0.90 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4030709 0.89 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4031382 0.89 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL4033034 0.89 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4
SCHEMBL27727437 0.89 PROKR1 (0.49) PROKR1ALDH1A1NPC1GAACHRM4

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
CN-1717389-A Phenyl substituted piperidine compounds for use as PPAR activators PFIZER PROD INC (US) 2006-01-04 CN disclosed