SCHEMBL6863172

SCHEMBL6863172

O=C(NCC1(O)CCN(C(=O)[C@H]2CCCCN2)CC1)Nc1cc(CF)cc(C(F)(F)F)c1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 3/20 0.37
KDR P35968 1/20 0.36
MTOR P42345 1/20 0.35
P2RX7 Q99572 1/20 0.35
CXCR3 P49682 2/20 0.34
CCR3 P51677 2/20 0.34
MCHR1 Q99705 1/20 0.33
CCR4 P51679 3/20 0.33
WNT3 P56703 2/20 0.33
SFRP1 Q8N474 2/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL6863244 0.93 S1PR2 (0.40) S1PR2KDRMTORP2RX7CXCR3
SCHEMBL6863132 0.93 S1PR2 (0.40) S1PR2KDRMTORP2RX7CXCR3
SCHEMBL6863176 0.89 S1PR2 (0.40) S1PR2KDRCXCR3CCR3CYP2D6
SCHEMBL6863044 0.82 S1PR2 (0.41) S1PR2P2RX7CCR4WNT3SFRP1
SCHEMBL6863109 0.82 S1PR2 (0.41) S1PR2P2RX7CCR4WNT3SFRP1
SCHEMBL12005722 0.82 S1PR2 (0.41) S1PR2P2RX7CCR4WNT3SFRP1
SCHEMBL8374023 0.81 EPHX2 (0.41) KDRP2RX7CXCR3WNT3SFRP1
SCHEMBL6863253 0.81 CCR3 (0.38) CCR3CCR4
SCHEMBL17860811 0.79 EPHX2 (0.42) KDRP2RX7CXCR3WNT3SFRP1
SCHEMBL15353984 0.79 EPHX2 (0.42) KDRP2RX7CXCR3WNT3SFRP1

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
WO-2011032291-A1 SELECTIVE CALCIUM CHANNEL MODULATORS ZALICUS PHARMACEUTICALS LTD . (CA) 2011-03-24 WO disclosed