SCHEMBL4370602

SCHEMBL4370602

Cc1c(OC(=O)NCC(F)(F)C(F)(F)F)nc(-c2cc(Cl)ccc2Cl)n1CC1CCCCO1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.38
SLC6A4 P31645 4/20 0.38
HPGD P15428 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
TSHR P16473 2/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CNR2 P34972 2/20 0.35
CNR1 P21554 1/20 0.35
PDK1 Q15118 1/20 0.35

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
SCHEMBL4562002 0.92 CNR1 (0.39) TSHRNPC1RAB9ACNR2CNR1
SCHEMBL4373432 0.78 CNR1 (0.41) TSHRNPC1RAB9ACNR2CNR1
SCHEMBL4375154 0.77 PTGER1 (0.43) HPGDSMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL4372095 0.76 MEN1 (0.43) HPGDSMN1; SMN2ALDH1A1LMNAMEN1
SCHEMBL4371328 0.75 GAA (0.42) HPGDSMN1; SMN2ALDH1A1LMNAHSD17B10
SCHEMBL4371432 0.71 CNR1 (0.42) HPGDSMN1; SMN2ALDH1A1HTTTSHR
SCHEMBL4371339 0.70 TP53 (0.43) HTR2CSLC6A4SMN1; SMN2ALDH1A1TSHR
SCHEMBL4373426 0.68 CNR1 (0.51) CNR2CNR1
SCHEMBL4371355 0.67 CNR1 (0.49) SMN1; SMN2ALDH1A1LMNAHSD17B10MEN1
SCHEMBL4369561 0.66 KCNH2 (0.41) HPGDSMN1; SMN2ALDH1A1HSD17B10CNR2

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
EP-1749002-B1 PYRROLE OR IMIDAZOLE AMIDES FOR TREATING OBESITY HOFFMANN LA ROCHE (CH) 2009-05-27 EP claimed