SCHEMBL19906223

SCHEMBL19906223

Cc1cc2nc(-c3ccc4ncn(C5CCN(C)CC5)c4c3)sc2c(-c2ccc(Cl)cc2)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 14/20 0.41
FLT3 P36888 4/20 0.39
CYP2D6 P10635 2/20 0.36
PRMT5 O14744 2/20 0.36

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
SCHEMBL19906221 0.89 MCHR1 (0.36) MCHR1FLT3PRMT5
SCHEMBL19905836 0.87 JAK1 (0.37) MCHR1
SCHEMBL19905966 0.84 JAK1 (0.36) MCHR1CYP2D6
SCHEMBL19905942 0.84 DRD2 (0.40)
SCHEMBL19905832 0.84 MCHR1 (0.40) MCHR1
SCHEMBL15342629 0.83 CYP3A4 (0.39) MCHR1FLT3PRMT5
SCHEMBL19906198 0.82 NPC1 (0.40) MCHR1
SCHEMBL15342220 0.81 MCHR1 (0.36) MCHR1FLT3PRMT5
SCHEMBL19906248 0.81 CNR1 (0.35) MCHR1
SCHEMBL19905920 0.80 KDM4E (0.36) MCHR1

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
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed