SCHEMBL28670732

SCHEMBL28670732

C[C@H]1c2nnn(-c3ncc(F)cn3)c2CCN1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 20/20 0.65
CYP2C8 P10632 1/20 0.61

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
SCHEMBL16036245 0.84 P2RX7 (0.59) P2RX7CYP2C8
SCHEMBL16089627 0.81 P2RX7 (0.84) P2RX7CYP2C8
SCHEMBL20194812 0.81 P2RX7 (0.71) P2RX7CYP2C8
SCHEMBL16036879 0.79 P2RX7 (1.00) P2RX7CYP2C8
SCHEMBL20184281 0.79 P2RX7 (0.53) P2RX7CYP2C8
SCHEMBL16036081 0.78 P2RX7 (1.00) P2RX7CYP2C8
SCHEMBL16037292 0.78 P2RX7 (0.75) P2RX7CYP2C8
SCHEMBL17537536 0.78 P2RX7 (0.67) P2RX7CYP2C8
SCHEMBL16037288 0.78 P2RX7 (0.75) P2RX7CYP2C8
SCHEMBL16036004 0.78 P2RX7 (1.00) P2RX7CYP2C8

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
CN-110003200-B P2X7 modulators 詹森药业有限公司 2021-11-26 CN disclosed