SCHEMBL3712485

SCHEMBL3712485

CCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(CCCN(C)C)cc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
SENP1 Q9P0U3 1/20 0.42
SMN1; SMN2 Q16637 6/20 0.41
GAA P10253 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 8/20 0.41
NAMPT P43490 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
ALDH1A1 P00352 3/20 0.40
ALOX12 P18054 1/20 0.40
LMNA P02545 2/20 0.39
MAPK1 P28482 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL3152790 1.00 RXFP1 (0.44) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2122227 1.00 RXFP1 (0.44) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL3153345 0.95 RXFP1 (0.45) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL3153335 0.95 RXFP1 (0.45) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2568541 0.92 SENP1 (0.39) SENP1NPC1RAB9AMAPTMEN1
SCHEMBL2568543 0.92 SENP1 (0.39) SENP1NPC1RAB9AMAPTMEN1
SCHEMBL479383 0.91 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2566845 0.91 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL479382 0.91 RXFP1 (0.42) RXFP1SENP1SMN1; SMN2GAANPC1
SCHEMBL2569460 0.91 RXFP1 (0.44) RXFP1SENP1SMN1; SMN2GAANPC1

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-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed