SCHEMBL4755547

SCHEMBL4755547

Cc1cc(=O)n(-c2ccc(Br)cc2)c([C@H]2CC[C@@H](C(F)(F)F)CC2)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
TP53 P04637 2/20 0.34
POLB P06746 1/20 0.33
APP P05067 1/20 0.33
BACE1 P56817 1/20 0.33
MMP10 P09238 1/20 0.33
MMP13 P45452 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
MCHR1 Q99705 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 2/20 0.32
RXFP1 Q9HBX9 1/20 0.31
DHODH Q02127 1/20 0.31
SPR P35270 2/20 0.31
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL4755551 1.00 MAPT (0.34) MAPTTP53POLBAPPBACE1
SCHEMBL4755594 0.91 DRD1 (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4755592 0.91 DRD1 (0.37) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL4755656 0.89 MEN1 (0.39) MAPTTP53POLBHCAR1MCHR1
SCHEMBL4755659 0.89 MEN1 (0.39) MAPTTP53POLBHCAR1MCHR1
SCHEMBL4755166 0.88 AVPR1A (0.39) TP53POLBMCHR1ALDH1A1KMT2A
SCHEMBL4755169 0.88 AVPR1A (0.39) TP53POLBMCHR1ALDH1A1KMT2A
SCHEMBL13985302 0.88 TSHR (0.31) HCAR1TSHRSPRAVPR1A
SCHEMBL4755213 0.88 DRD1 (0.40) POLBHCAR1ALDH1A1MEN1KMT2A
SCHEMBL4755215 0.88 DRD1 (0.40) POLBHCAR1ALDH1A1MEN1KMT2A

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-2008156607-A1 SUBSTITUTED PYRIMIDINONES NEUROGEN CORPORATION (US) 2008-12-24 WO claimed