SCHEMBL4373433

SCHEMBL4373433

Cc1c(OC(=O)NC2CCCCC2)cc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1C[C@H]1CCCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
FAAH O00519 1/20 0.39
TSHR P16473 2/20 0.39
KDM4E B2RXH2 3/20 0.38
GLA P06280 2/20 0.38
GAA P10253 2/20 0.38
MAPK1 P28482 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CNR2 P34972 4/20 0.38
KMT2A Q03164 1/20 0.38
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
CASP1 P29466 1/20 0.37
BLM P54132 1/20 0.37
CASP7 P55210 1/20 0.37
NPSR1 Q6W5P4 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
SCHEMBL4375462 0.91 TSHR (0.39) ALDH1A1SMN1; SMN2TSHRKDM4EGLA
SCHEMBL4372670 0.89 CNR1 (0.42) ALDH1A1SMN1; SMN2TSHRKDM4EGLA
SCHEMBL4368598 0.86 CNR2 (0.42) TSHRCNR2
SCHEMBL4374742 0.86 TSHR (0.42) ALDH1A1LMNASMN1; SMN2FAAHTSHR
SCHEMBL4368758 0.85 CNR1 (0.51) ALDH1A1LMNASMN1; SMN2FAAHTSHR
SCHEMBL4383359 0.85 RORC (0.46) ALDH1A1LMNASMN1; SMN2TSHRKDM4E
SCHEMBL4379995 0.84 CNR2 (0.39) TSHRCNR2KMT2AGRIN1GRIN2B
SCHEMBL4380421 0.84 CNR2 (0.39) TSHRCNR2KMT2AGRIN1GRIN2B
SCHEMBL4373529 0.82 CNR2 (0.39) TSHRCNR2KMT2AGRIN1GRIN2B
SCHEMBL4380524 0.81 EPHX1 (0.41) ALDH1A1LMNASMN1; SMN2FAAHTSHR

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