SCHEMBL27635781

SCHEMBL27635781

C[C@@H](Cl)c1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APLNR P35414 4/20 0.47
DGAT1 O75907 1/20 0.37
OPRM1 P35372 4/20 0.36
KDM1A O60341 2/20 0.35
PDE2A O00408 2/20 0.35
KDM1B Q8NB78 1/20 0.35
KDM4E B2RXH2 1/20 0.34
PYCR1 P32322 1/20 0.33
NPC1 O15118 2/20 0.33
LMNA P02545 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
FPR2 P25090 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL28802581 0.83 APLNR (0.37) APLNRDGAT1OPRM1KDM1AKDM1B
SCHEMBL30169618 0.83 APLNR (0.50) APLNRDGAT1OPRM1KDM1APDE2A
SCHEMBL2550576 0.83 APLNR (0.50) APLNRDGAT1OPRM1KDM1APDE2A
SCHEMBL31690066 0.81 APLNR (0.49) APLNRDGAT1OPRM1KDM1APDE2A
SCHEMBL16104803 0.81 APLNR (0.49) APLNRDGAT1OPRM1KDM1APDE2A
SCHEMBL15861423 0.81 APLNR (0.49) APLNRDGAT1OPRM1KDM1APDE2A
SCHEMBL3988011 0.79 APLNR (0.47) APLNRDGAT1OPRM1KDM1APDE2A
SCHEMBL701193 0.79 PDE2A (0.56) APLNRDGAT1OPRM1KDM1APDE2A
SCHEMBL16043191 0.79 PDE2A (0.56) APLNRDGAT1OPRM1KDM1APDE2A
SCHEMBL9947727 0.79 PDE2A (0.56) APLNRDGAT1OPRM1KDM1APDE2A

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
CN-1832922-A Sulfonyl-substituted N- (biarylmethyl) aminocyclopropanecarboxamides MERCK & CO INC (US) 2006-09-13 CN disclosed