SCHEMBL8224340

SCHEMBL8224340

O=C(N[C@@H](c1ccc(-c2cccnc2)cc1)[C@@H]1CCCCN1)c1cccc(C(F)(F)F)c1Cl

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 12/20 0.73
P2RX7 Q99572 5/20 0.42
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
HSD17B4 P51659 1/20 0.42
CTSS P25774 1/20 0.40

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
SCHEMBL4782501 0.93 SLC6A9 (0.72) SLC6A9P2RX7CTSS
SCHEMBL4782505 0.93 SLC6A9 (0.72) SLC6A9P2RX7CTSS
SCHEMBL4782486 0.93 SLC6A9 (0.72) SLC6A9P2RX7CTSS
SCHEMBL8213192 0.93 SLC6A9 (0.77) SLC6A9P2RX7CTSS
SCHEMBL8220931 0.91 SLC6A9 (0.89) SLC6A9CTSS
SCHEMBL4781390 0.90 SLC6A9 (0.68) SLC6A9P2RX7CTSS
SCHEMBL4781397 0.90 SLC6A9 (0.68) SLC6A9P2RX7CTSS
SCHEMBL4776995 0.88 SLC6A9 (0.56) SLC6A9HSD17B1HSD17B2HSD17B4
SCHEMBL4777001 0.88 SLC6A9 (0.56) SLC6A9HSD17B1HSD17B2HSD17B4
SCHEMBL4777006 0.88 SLC6A9 (0.56) SLC6A9HSD17B1HSD17B2HSD17B4

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-2008018639-A2 GLYCINE TRANSPORTER INHIBITOR TAISHO PHARMACEUTICAL CO., LTD. (JP) 2008-02-14 WO disclosed