SCHEMBL24640720

SCHEMBL24640720

CCN1CCN2c3nc(N)c(Cl)cc3OC[C@H]2C1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 1/20 0.33
KCNH2 Q12809 1/20 0.33
NLRP3 Q96P20 2/20 0.33
LTA4H P09960 2/20 0.32

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
SCHEMBL24639248 0.89 NLRP3 (0.39) OPRL1KCNH2NLRP3
SCHEMBL24639259 0.89 NLRP3 (0.39) OPRL1KCNH2NLRP3
SCHEMBL24640258 0.84 KRAS (0.36)
SCHEMBL24640260 0.84 KRAS (0.36)
SCHEMBL24640215 0.84 NLRP3 (0.33) OPRL1KCNH2NLRP3LTA4H
SCHEMBL24640208 0.81 AXL (0.35)
SCHEMBL24640718 0.81 AXL (0.35)
SCHEMBL31244729 0.75 HTR2C (0.42)
SCHEMBL24640631 0.73 SOS1 (0.35) KCNH2
SCHEMBL24639280 0.72 LTA4H (0.33) OPRL1KCNH2LTA4H

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
WO-2022170974-A1 TRICYCLIC DERIVATIVES USEFUL AS PARP7 INHIBITORS JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2022-08-18 WO disclosed