SCHEMBL8935323

SCHEMBL8935323

NC(=O)CC(N)Cc1ccc(NCc2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 8/20 0.56
FFAR4 Q5NUL3 4/20 0.56
PPARG P37231 2/20 0.52
PPARA Q07869 2/20 0.52
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
HIF1A Q16665 1/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
HTT P42858 1/20 0.45
MMP2 P08253 1/20 0.44
EPHX1 P07099 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
SCHEMBL7346982 0.84 EPHX1 (0.61) CYP1A2MMP2EPHX1
SCHEMBL8302412 0.84 EPHX1 (0.61) CYP1A2MMP2EPHX1
SCHEMBL7346978 0.84 EPHX1 (0.61) CYP1A2MMP2EPHX1
SCHEMBL17079480 0.84 MAPT (0.49) ALDH1A1HTTMMP2EPHX1
Hydrochloric Acid SCHEMBL28589045 0.83 EPHX1 (0.59) CYP1A2MMP2EPHX1
Hydrochloric Acid SCHEMBL28589046 0.83 EPHX1 (0.59) CYP1A2MMP2EPHX1
SCHEMBL8935463 0.82 EPHX1 (0.53) FFAR1PPARGPPARAMMP2EPHX1
SCHEMBL1104659 0.81 SLC7A5 (0.69) FFAR1FFAR4PPARGPPARACA1
Acetic Acid SCHEMBL6692778 0.80 ALPI (0.56) CYP1A2MMP2EPHX1
SCHEMBL7385112 0.79 FFAR1 (0.66) FFAR1FFAR4PPARGPPARACA1

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
US-5502079-A TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS FARMITALIA CARLO ERBA S.R.L. (IT) 1996-03-26 US disclosed