SCHEMBL8320134

SCHEMBL8320134

[CH2]N1CCN(c2ccc(Cl)c(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 14/20 0.52
PHGDH O43175 1/20 0.50
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.47
DPP4 P27487 2/20 0.45
LMNA P02545 1/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL20080888 0.92 NOTUM (0.58) NOTUMPHGDHMEN1CYP1A2CYP3A4
SCHEMBL8320138 0.84 SIRT6 (0.59) NOTUMPHGDHMEN1CYP1A2CYP3A4
SCHEMBL3805648 0.82 NOTUM (0.61) NOTUMPHGDHMEN1CYP1A2CYP3A4
SCHEMBL3243736 0.81 NOTUM (0.53) NOTUMPHGDHMEN1CYP1A2CYP3A4
SCHEMBL255333 0.81 ADRB1 (0.65) NOTUMCYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2921346 0.80 DPP4 (0.51) NOTUMPHGDHMEN1CYP1A2CYP3A4
SCHEMBL6240445 0.80 NOTUM (0.49) NOTUMPHGDHMEN1CYP1A2CYP3A4
SCHEMBL13801246 0.80 NOTUM (0.52) NOTUMPHGDHMEN1CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1637829 0.79 ADRB1 (0.63) NOTUMCYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL11185302 0.79 ADRB1 (0.63) NOTUMCYP1A2CYP3A4CYP2D6CYP2C9

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-5945421-A TREATING PSYCHOSIS AND SCHIZOPHRENIA WARNER-LAMBERT COMPANY (US) 1999-08-31 US disclosed