SCHEMBL29337045

SCHEMBL29337045

N#Cc1cc(F)c(CCN)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.54
ADRA2C P18825 1/20 0.38
LOXL2 Q9Y4K0 1/20 0.35
CYP19A1 P11511 2/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
EGLN2 Q96KS0 1/20 0.34
HTR1D P28221 1/20 0.32
CHEK1 O14757 1/20 0.32
TTR P02766 2/20 0.31
ALB P02768 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV4 Q9HBA0 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
SCHEMBL13787902 0.84 LOXL2 (0.41) TAAR1ADRA2CLOXL2CYP19A1FFAR1
Hydrochloric Acid SCHEMBL5047133 0.83 LOXL2 (0.40) TAAR1ADRA2CLOXL2CYP19A1EGLN2
SCHEMBL27847324 0.81 CYP19A1 (0.35) TAAR1CYP19A1FFAR1FFAR4EGLN2
SCHEMBL12184920 0.76 CYP2A6 (0.41) LOXL2CYP19A1EGLN2TTRALB
SCHEMBL20967889 0.76 CYP11B1 (0.33) CYP19A1FFAR1FFAR4EGLN2TTR
SCHEMBL17864267 0.76 TTR (0.37) CYP19A1EGLN2TTRALBMEN1
SCHEMBL536576 0.76 EPAS1 (0.37) TAAR1CYP19A1FFAR1FFAR4EGLN2
SCHEMBL603677 0.76 TTR (0.37) CYP19A1EGLN2TTRALBMEN1
SCHEMBL17514977 0.76 TTR (0.32) CYP19A1EGLN2TTRALBMEN1
SCHEMBL14538279 0.75 MAOB (0.45) TAAR1LOXL2CYP19A1FFAR1FFAR4

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-3752497-B1 P300/CBP HAT INHIBITORS CONSTELLATION PHARMACEUTICALS INC (US) 2024-07-17 EP disclosed