SCHEMBL7667657

SCHEMBL7667657

O=C(NCCc1cccc(O)c1)C(F)(F)F

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SPR P35270 1/20 0.57
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA7 P43166 1/20 0.51
CA9 Q16790 1/20 0.51
CA14 Q9ULX7 1/20 0.51
OPRK1 P41145 3/20 0.50
OPRD1 P41143 2/20 0.50
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
DRD2 P14416 1/20 0.46
DRD1 P21728 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
IDO1 P14902 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
MTNR1A P48039 2/20 0.45
MTNR1B P49286 2/20 0.45
MLYCD O95822 1/20 0.44

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
SCHEMBL236381 0.90 HDAC6 (0.52) SPRCA2CA7CA9CA14
SCHEMBL7663169 0.84 CYP1A2 (0.51) SPROPRK1MMP1MMP2MMP9
SCHEMBL236452 0.83 CNR1 (0.54) CA1CA2TAAR1MTNR1AMTNR1B
SCHEMBL3886323 0.83 CNR1 (0.61) TAAR1HDAC6MLYCD
SCHEMBL12319290 0.83 CNR1 (0.45) HDAC6MTNR1AMTNR1BMLYCD
SCHEMBL2083314 0.83 MAOA (0.46) MTNR1AMTNR1BMLYCD
SCHEMBL29963823 0.83 CNR1 (0.61) TAAR1HDAC6MLYCD
SCHEMBL6379101 0.83 ALDH1A1 (0.61) TAAR1
Hydrochloric Acid SCHEMBL2083323 0.82 MAOA (0.47) MTNR1AMTNR1BMLYCD
SCHEMBL3833319 0.82 MLYCD (0.62) CA1CA2CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP disclosed