SCHEMBL8775045

SCHEMBL8775045

CCCCCC1CCC(C2CCC(c3cnc(C(F)(F)F)nc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 6/20 0.39
KMT2A Q03164 6/20 0.39
MAPT P10636 4/20 0.37
GAA P10253 3/20 0.37
CYP2C9 P11712 2/20 0.36
MAPK1 P28482 3/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 3/20 0.34
NPC1 O15118 1/20 0.34
CYP2D6 P10635 1/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
SPHK1 Q9NYA1 2/20 0.33
PKM P14618 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
SCHEMBL8775049 1.00 MEN1 (0.39) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8775040 1.00 MEN1 (0.39) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8774720 0.99 MAPT (0.39) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8774699 0.99 MAPT (0.39) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8774714 0.99 MAPT (0.39) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8774607 0.99 MAPT (0.39) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8774617 0.99 MAPT (0.39) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8774591 0.99 MAPT (0.39) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8774172 0.96 MEN1 (0.37) MEN1KMT2AMAPTGAACYP2C9
SCHEMBL8774179 0.96 MEN1 (0.37) MEN1KMT2AMAPTGAACYP2C9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0519370-B1 Heterocyclic derivatives MERCK PATENT GMBH (DE) 1997-11-05 EP disclosed
EP-0519370-A2 Heterocyclic derivatives MERCK PATENT GmbH (DE) 1992-12-23 EP disclosed