SCHEMBL4959440

SCHEMBL4959440

O=C(OC(Cn1ncnn1)c1ccccc1Cl)N1CCCCC1n1nccn1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.36
OPRL1 P41146 1/20 0.35
CNR1 P21554 3/20 0.30
CTSA P10619 1/20 0.30

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
SCHEMBL4960079 0.89 OPRL1 (0.35) POLBOPRL1
SCHEMBL4313590 0.83 POLB (0.37) POLBOPRL1
SCHEMBL4962541 0.79 HRH3 (0.35) POLB
SCHEMBL4315951 0.79 POLB (0.37) POLBCNR1
SCHEMBL4308048 0.78 POLB (0.35) POLBCNR1
SCHEMBL4311381 0.77 POLB (0.39) POLBCNR1
SCHEMBL4308697 0.76 POLB (0.36) POLBCNR1
SCHEMBL4318842 0.76 MGLL (0.42) POLB
SCHEMBL4307945 0.75 EPHX2 (0.42) POLB
SCHEMBL4316140 0.75 LMNA (0.42) POLBCNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879873-B1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK BIOPHARMACEUTICALS CO LTD (KR) 2013-10-09 EP disclosed
EP-1879873-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK Holdings Co., Ltd. (KR) 2008-01-23 EP disclosed
WO-2006112685-A1 NEUROTHERAPEUTIC AZOLE COMPOUNDS SK HOLDINGS CO., LTD. (KR) 2006-10-26 WO disclosed