SCHEMBL11278643

SCHEMBL11278643

O=C(O)CC1NCCc2c1[nH]c1ccc(C(F)(F)F)cc21

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 12/20 0.74
S1PR2 O95136 1/20 0.56
S1PR4 O95977 1/20 0.56
S1PR3 Q99500 1/20 0.56
S1PR5 Q9H228 1/20 0.56
HTR2A P28223 5/20 0.51
HTR2C P28335 4/20 0.51
MAPKAPK2 P49137 2/20 0.50
KMT2A Q03164 1/20 0.50

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
SCHEMBL945550 0.85 S1PR1 (1.00) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL11317821 0.85 KMT2A (0.71) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL946725 0.84 S1PR1 (0.78) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL947705 0.84 S1PR1 (0.78) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL945023 0.84 S1PR1 (0.78) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL28961219 0.82 HTR2A (0.70) S1PR1HTR2AHTR2CMAPKAPK2
SCHEMBL11277982 0.82 S1PR1 (0.60) S1PR1HTR2AHTR2CMAPKAPK2KMT2A
SCHEMBL30397112 0.82 HTR2A (0.70) S1PR1HTR2AHTR2CMAPKAPK2
SCHEMBL945492 0.80 S1PR1 (0.76) S1PR1S1PR2S1PR4S1PR3S1PR5
SCHEMBL945493 0.80 S1PR1 (0.76) S1PR1S1PR2S1PR4S1PR3S1PR5

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-4336256-A TREATMENT OF ANOXIA, DEPRESSION AND IN PSYCHOTROPIC THERAPY SYNTHELABO (FR) 1982-06-22 US disclosed