SCHEMBL30131489

SCHEMBL30131489

O=C(NCC1CCC1)c1ncccc1Cl

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 3/20 0.58
CNR1 P21554 15/20 0.58
CNR2 P34972 13/20 0.58

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
SCHEMBL30875023 0.87 P2RX7 (0.48) P2RX7CNR1CNR2
SCHEMBL4254640 0.83 CNR1 (0.58) P2RX7CNR1CNR2
SCHEMBL30131343 0.83 P2RX7 (0.51) P2RX7CNR1CNR2
SCHEMBL20068866 0.82 SSTR4 (0.49) P2RX7CNR1CNR2
SCHEMBL14284345 0.81 CNR1 (0.58) P2RX7CNR1CNR2
SCHEMBL5159142 0.80 CNR1 (0.57) P2RX7CNR1CNR2
SCHEMBL20158754 0.79 RET (0.45) P2RX7CNR1CNR2
SCHEMBL20147919 0.79 HTR4 (0.45) P2RX7CNR1CNR2
SCHEMBL4968777 0.78 POLB (0.65) P2RX7CNR1CNR2
SCHEMBL19921372 0.77 P2RX7 (0.52) P2RX7CNR1CNR2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN claimed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO claimed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN disclosed
WO-2023279986-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF 贝达药业股份有限公司 2023-01-12 WO disclosed