SCHEMBL26425850

SCHEMBL26425850

CC(C)(F)Cn1cc(C(=O)NN2CCCCC2)c(C(F)(F)F)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
POLB P06746 2/20 0.40
KLKB1 P03952 12/20 0.38
KLK1 P06870 1/20 0.38
CNR1 P21554 2/20 0.36
HTT P42858 1/20 0.36
DGAT1 O75907 1/20 0.36

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
SCHEMBL26419960 0.75 LMNA (0.39) LMNAPOLBKLKB1DGAT1
SCHEMBL21408586 0.67 LMNA (0.39) LMNAPOLBKLKB1DGAT1
SCHEMBL15328476 0.65 LMNA (0.58) LMNAPOLBCNR1HTT
SCHEMBL21408550 0.64 KDM2B (0.36) LMNAPOLBKLKB1KLK1HTT
SCHEMBL18396686 0.64 MEN1 (0.43) LMNAPOLBCNR1HTT
SCHEMBL26389004 0.64
SCHEMBL22847893 0.64 POLB (0.60) LMNAPOLBKLKB1CNR1DGAT1
SCHEMBL3901793 0.63 GAA (0.43) LMNAPOLBHTTDGAT1
SCHEMBL9017973 0.63 POLB (0.51) LMNAPOLBCNR1HTT
SCHEMBL26419959 0.63 KLKB1 (0.43) LMNAPOLBKLKB1

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
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed