SCHEMBL4867964

SCHEMBL4867964

C=CCN(Cn1nnc2ccccc21)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 8/20 0.48
GRM2 Q14416 2/20 0.48
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 1/20 0.46
EGLN3 Q9H6Z9 1/20 0.43
TSHR P16473 2/20 0.43
MGAM O43451 1/20 0.43
AMY1A P0DUB6 1/20 0.43
GAA P10253 1/20 0.43
SI P14410 1/20 0.43
MGAM2 Q2M2H8 1/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
POLB P06746 2/20 0.42
RPS6KA3 P51812 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
GLA P06280 1/20 0.41
APAF1 O14727 1/20 0.41

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
SCHEMBL4919614 0.87 SLC9A1 (0.57) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL761838 0.82 SLC9A1 (0.51) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL7933277 0.81 SLC9A1 (0.57) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL15339462 0.80 SLC9A1 (0.53) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL17281137 0.75 MGAM (0.55) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL3343750 0.75 SLC9A1 (0.57) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL31067332 0.74 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL253038 0.74 SLC9A1 (0.59) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL14953612 0.74 RPS6KA3 (0.52) SLC9A1GRM2RAB9ANPC1MAPT
SCHEMBL31483490 0.73 SLC9A1 (0.63) SLC9A1GRM2RAB9ANPC1MAPT

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-1761515-B1 2-(HETERO-)ARYL SUBSTITUTED TETRAHYDROQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2008-11-05 EP disclosed