SCHEMBL27776544

SCHEMBL27776544

CC(CO)n1ccc2c(C(=O)O)c(Cl)ccc2c1=O.NC(=O)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 6/20 0.51
▸ RORC P51449 9/20 0.36
▸ PDE2A O00408 1/20 0.35
▸ PPARG P37231 1/20 0.34
▸ F11 P03951 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33

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
SCHEMBL27776543 1.00 P2RX7 (0.51) P2RX7RORCPDE2APPARGF11
SCHEMBL27797239 0.91 P2RX7 (0.42) P2RX7RORC
SCHEMBL27797240 0.91 P2RX7 (0.42) P2RX7RORC
SCHEMBL27776449 0.83 P2RX7 (0.51) P2RX7RORC
SCHEMBL27776447 0.83 P2RX7 (0.51) P2RX7RORC
SCHEMBL27797214 0.81 P2RX7 (0.46) P2RX7F11
SCHEMBL306167 0.80 P2RX7 (0.61) P2RX7PPARG
SCHEMBL306166 0.80 P2RX7 (0.61) P2RX7PPARG
SCHEMBL8132956 0.78 P2RX7 (0.46) P2RX7
SCHEMBL305888 0.75 P2RX7 (0.84) P2RX7

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
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 — — CN claimed
CN-101686680-A Bicyclic heteroaryl compounds as P2X7 modulators and uses thereof RENOVIS INC 2010-03-31 — — CN disclosed
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