SCHEMBL4037907

SCHEMBL4037907

O=C1NCC(c2ccc(CO)cc2)N1c1cccc(C(F)(F)F)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
QPCT Q16769 11/20 0.43
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
NOTUM Q6P988 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
PRKCZ Q05513 1/20 0.40
ALOX5 P09917 1/20 0.39
CCR2 P41597 1/20 0.39

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
SCHEMBL3884188 0.77 QPCT (0.35) QPCTPIM1PIM2
SCHEMBL3886296 0.76 EPHX2 (0.39) QPCT
SCHEMBL3590822 0.73 MEN1 (0.46) QPCTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3590816 0.73 MEN1 (0.46) QPCTMEN1KMT2ACYP1A2CYP3A4
SCHEMBL3877594 0.71 NAAA (0.42) QPCT
SCHEMBL3563541 0.71 DRD2 (0.55) NOTUMMEN1KMT2ACYP1A2CYP3A4
SCHEMBL8361801 0.70 SIGMAR1 (0.45) KMT2AALOX5
SCHEMBL13737609 0.70 CYP17A1 (0.58) QPCTHTTALOX5CCR2
SCHEMBL9205520 0.69 HTR2C (0.46) HTT
SCHEMBL3582370 0.68 HTT (0.41) QPCTMEN1KMT2ACYP1A2CYP3A4

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
EP-2010524-A2 S1P RECEPTOR MODULATING COMPOUNDS Epix Delaware, Inc. (US) 2009-01-07 EP disclosed
WO-2007109330-A2 S1P RECEPTOR MODULATING COMPOUNDS EPIX DELAWARE, INC. (US) 2007-09-27 WO disclosed