SCHEMBL3255000

SCHEMBL3255000

O=C(OC1(Cc2cccc(F)c2)NC(c2ccccc2)C(c2ccccc2)N1)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 8/20 0.43
PKM P14618 1/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 1/20 0.38
PPARG P37231 2/20 0.38
TP53 P04637 1/20 0.36
HCAR2 Q8TDS4 1/20 0.36
NR4A2 P43354 1/20 0.36
PPARA Q07869 1/20 0.36
SIGMAR1 Q99720 2/20 0.35

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
SCHEMBL3259233 0.90 P2RX7 (0.41) P2RX7PKMALDH1A1LMNAPPARG
SCHEMBL3255809 0.87 SLC6A2 (0.41) PKMTP53
SCHEMBL3254057 0.87 TP53 (0.42) P2RX7TP53
SCHEMBL3249024 0.87 KMT2A (0.41) P2RX7ALDH1A1LMNA
SCHEMBL3259173 0.86 ALDH1A1 (0.39) P2RX7PKMALDH1A1LMNATP53
SCHEMBL3253367 0.86 KDM1A (0.35) ALDH1A1TP53SIGMAR1
SCHEMBL3257493 0.85 ALDH1A1 (0.38) P2RX7PKMALDH1A1LMNA
SCHEMBL3255278 0.84 SIGMAR1 (0.35) P2RX7TP53SIGMAR1
SCHEMBL3256724 0.84 P2RX7 (0.39) P2RX7PKMALDH1A1LMNAHCAR2
SCHEMBL3254884 0.84 SIGMAR1 (0.35) ALDH1A1PPARGTP53SIGMAR1

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-1651613-B1 4,5-DIHYDRO-IMIDAZOLE AS P2X7 ION CHANNEL BLOCKERS AVENTIS PHARMA INC (US) 2010-05-26 EP disclosed