SCHEMBL18683038

SCHEMBL18683038

OCCC(CF)c1cc(Br)ccc1F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
NMUR2 Q9GZQ4 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
NPSR1 Q6W5P4 1/20 0.31
SLC6A4 P31645 1/20 0.30
APLNR P35414 2/20 0.30

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
SCHEMBL3192828 0.79 ADRA2C (0.39) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL18683055 0.78 PSEN1 (0.37) DGAT1PSEN1PSEN2APH1BNCSTN
SCHEMBL18683036 0.78 DGAT1 (0.37) DGAT1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL18682916 0.77 DGAT1 (0.32) DGAT1APLNR
SCHEMBL18683365 0.77 LMNA (0.35)
SCHEMBL18683299 0.75 CES2 (0.37) CYP2D6SLC6A4
SCHEMBL18682954 0.75
SCHEMBL21677164 0.74
SCHEMBL18683312 0.72 APLNR (0.34) APLNR
SCHEMBL16958288 0.72 DPP4 (0.33) DGAT1

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-3353163-B1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2020-02-05 EP disclosed
WO-2017050978-A1 2,3,4,5-TETRAHYDROPYRIDIN-6-AMINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-03-30 WO disclosed