SCHEMBL4375433

SCHEMBL4375433

Cc1c(OC(=O)NC2CCCCC2)cc(-c2ccccc2OC(F)(F)F)n1CC1COCCO1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.40
APLNR P35414 1/20 0.40
FAAH O00519 4/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RAB9A P51151 1/20 0.35
ACKR3 P25106 1/20 0.35
TNK2 Q07912 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35
CNR2 P34972 3/20 0.34

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
SCHEMBL4380524 0.92 EPHX1 (0.41) EPHX1APLNRFAAHMEN1KMT2A
SCHEMBL4373581 0.92 EPHX1 (0.41) EPHX1APLNRFAAHMEN1KMT2A
SCHEMBL4374875 0.89 POLB (0.42) APLNRFAAHMEN1KMT2AALDH1A1
SCHEMBL4542690 0.86 EPHX1 (0.39) EPHX1APLNRFAAHMEN1KMT2A
SCHEMBL4375499 0.83 CNR1 (0.49) FAAHCNR2
SCHEMBL4383466 0.82 ALDH1A1 (0.40) MEN1KMT2AALDH1A1RAB9ATNK2
SCHEMBL4376903 0.80 NPSR1 (0.44) APLNRFAAHMEN1KMT2AALDH1A1
SCHEMBL4371244 0.80 NPSR1 (0.44) APLNRFAAHMEN1KMT2AALDH1A1
SCHEMBL4368598 0.75 CNR2 (0.42) CNR2
SCHEMBL4374742 0.75 TSHR (0.42) FAAHALDH1A1RAB9ACNR2

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