SCHEMBL31342801

SCHEMBL31342801

Cc1ccncc1N(c1ccc(OC(F)F)cc1)C1CCNCC1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.35
SLC6A4 P31645 5/20 0.35
SLC6A3 Q01959 2/20 0.35
IKBKB O14920 2/20 0.34
KDM4C Q9H3R0 4/20 0.34
KDM6B O15054 2/20 0.33
CHUK O15111 1/20 0.32
RPS6KA3 P51812 1/20 0.32
CYP3A4 P08684 3/20 0.32
PRKCZ Q05513 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
BRD4 O60885 1/20 0.31
ATAD2 Q6PL18 1/20 0.31

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
SCHEMBL31342907 0.87 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3IKBKBKDM4C
Hydrochloric Acid SCHEMBL31342872 0.86 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3IKBKBKDM4C
SCHEMBL31342910 0.81 CYP3A4 (0.39) CYP3A4CYP2C9CYP2C19
SCHEMBL31342913 0.79 CYP3A4 (0.40) CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL31342952 0.79 ACVR1B (0.32) SLC6A2SLC6A4
SCHEMBL31343048 0.78 GPR119 (0.44) CYP3A4
SCHEMBL31343044 0.74 HCRTR1 (0.35) SLC6A2SLC6A4SLC6A3CYP2D6
Hydrochloric Acid SCHEMBL31342858 0.73 HCRTR1 (0.35) SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL31343027 0.70 CYP3A4 (0.42) SLC6A2SLC6A4CYP3A4CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL31342830 0.70 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3

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
WO-2025049495-A1 TERTIARY PYRIDYL AMINE MODULATORS OF CHOLESTEROL BIOSYNTHESIS AND THEIR USE FOR PROMOTING REMYLINATION GENENTECH, INC. (US) 2025-03-06 WO disclosed