SCHEMBL9645889

SCHEMBL9645889

FC(F)(F)c1cc(N2CCN(CCCl)CC2)ccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
NOTUM Q6P988 12/20 0.48
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DPP4 P27487 2/20 0.45
PHGDH O43175 1/20 0.44
HSD17B10 Q99714 1/20 0.44
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43

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
SCHEMBL2922525 0.87 DPP4 (0.52) MAPTLMNATP53NOTUMMEN1
SCHEMBL20080888 0.86 NOTUM (0.58) MAPTLMNATP53NOTUMMEN1
SCHEMBL2921346 0.84 DPP4 (0.51) MAPTLMNATP53NOTUMMEN1
SCHEMBL8320138 0.82 SIRT6 (0.59) NOTUMMEN1CYP1A2CYP3A4CYP2D6
SCHEMBL1254422 0.82 MAPT (0.57) MAPTLMNAMEN1KMT2ASMN1; SMN2
SCHEMBL28809856 0.81 SLC6A2 (0.49) MAPTLMNAKMT2ASMN1; SMN2SLC6A2
SCHEMBL8320134 0.79 NOTUM (0.52) MAPTLMNATP53NOTUMMEN1
SCHEMBL5183526 0.77 HSD17B10 (0.45) MAPTLMNACYP1A2CYP3A4CYP2D6
SCHEMBL16672426 0.77 SLC6A2 (0.56) SLC6A2SLC6A4
SCHEMBL3243736 0.77 NOTUM (0.53) MAPTLMNATP53NOTUMMEN1

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
US-5084456-A Analgesics SCIENCE ET ORGANISATION (FR) 1992-01-28 US disclosed