SCHEMBL19914907

SCHEMBL19914907

CC(CC(F)(F)F)c1cc(Cl)ccc1CCNC=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
LMNA P02545 1/20 0.31
ATM Q13315 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
METAP2 P50579 1/20 0.30
METAP1 P53582 1/20 0.30
POLB P06746 1/20 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
SCHEMBL2856783 0.72 CNR1 (0.51) MEN1KMT2AMAPK1TRPV1
SCHEMBL22105981 0.64 ADH1B (0.37) MEN1KMT2AMAPK1LMNAPOLB
SCHEMBL15171012 0.63 FLT1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31292987 0.61 MTNR1A (0.64) MEN1KMT2ALMNA
SCHEMBL2471353 0.61 LMNA (0.65) MEN1KMT2ALMNAL3MBTL1
SCHEMBL2473716 0.61 TAAR1 (0.62) MEN1KMT2A
SCHEMBL15170970 0.61 LMNA (0.37) LMNAPOLB
SCHEMBL15099560 0.61 HTR2A (0.41) MEN1KMT2AMAPK1LMNAL3MBTL1
SCHEMBL21541005 0.61 NPC1 (0.44) MEN1KMT2A
Trifluoroacetic Acid SCHEMBL5073548 0.61 ALDH1A1 (0.54) MEN1KMT2ATRPV1

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
EP-2374796-B1 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine, its salts, solvates or hydrates and its use for the treatment of CNS disorderes ARENA PHARM INC (US) 2018-02-28 EP disclosed