SCHEMBL4959588

SCHEMBL4959588

O=C(OCC(c1ccccc1Cl)n1ncnn1)N1CCCC(Cc2ccc(F)cc2)C1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
CCR3 P51677 6/20 0.37
RIPK1 Q13546 9/20 0.36
ENPP2 Q13822 1/20 0.36
CYP2D6 P10635 1/20 0.36
FAAH O00519 1/20 0.35

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
SCHEMBL4959460 0.90 MEN1 (0.41) CCR3FAAH
SCHEMBL4959675 0.89 FAAH (0.39) CCR3FAAH
SCHEMBL4958786 0.85 POLB (0.37)
SCHEMBL4958259 0.83 FAAH (0.41) CCR3FAAH
SCHEMBL4957412 0.83 FAAH (0.47) FAAH
SCHEMBL4960982 0.81 HSD11B1 (0.48)
SCHEMBL4958536 0.81 FAAH (0.41) CYP2D6FAAH
SCHEMBL4307866 0.81 RIPK1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4958808 0.81 SMN1; SMN2 (0.43) CCR3FAAH
SCHEMBL4958347 0.80 CCR3 (0.42) CCR3FAAH

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
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