SCHEMBL4596720

SCHEMBL4596720

O=C(O)N1CCC(N2C(=O)N(c3ccc(F)cc3)C[C@H]2c2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
ATM Q13315 1/20 0.44
MAPT P10636 5/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CCR5 P51681 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
RECQL P46063 1/20 0.39
FADS1 O60427 1/20 0.38
KDM4E B2RXH2 2/20 0.38
NOTUM Q6P988 1/20 0.38
HSD11B1 P28845 1/20 0.38
SLC18A3 Q16572 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37

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
SCHEMBL5575439 0.85 MEN1 (0.49) MAPTMEN1KMT2AKDM4E
SCHEMBL5575428 0.85 MEN1 (0.49) MAPTMEN1KMT2AKDM4E
SCHEMBL4608571 0.83 FADS1 (0.40) RAB9ANPC1ATMMAPTCCR5
SCHEMBL4608568 0.83 FADS1 (0.40) RAB9ANPC1ATMMAPTCCR5
SCHEMBL4597776 0.75 TP53 (0.47) MAPTMEN1KMT2AKDM4E
SCHEMBL4598523 0.74 CCR5 (0.60) CCR5
SCHEMBL4597898 0.73 CCR5 (0.56) CCR5
SCHEMBL5572702 0.72 CCR5 (0.61) CCR5
SCHEMBL5575335 0.72 CCR5 (0.58) CCR5
SCHEMBL5575344 0.72 CCR5 (0.58) CCR5

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-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 WO disclosed