SCHEMBL8955169

SCHEMBL8955169

c1cnc2c(c1)CCC2N1CCCC1

nearest known ligand 0.82

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.42
EGLN1 Q9GZT9 1/20 0.40
CXCR4 P61073 1/20 0.40
OPRL1 P41146 5/20 0.39
KCNH2 Q12809 5/20 0.39
FNTA P49354 1/20 0.39
FNTB P49356 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38

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
SCHEMBL9673260 0.92 CXCR4 (0.46) CHRNA7EGLN1CXCR4
SCHEMBL9672362 0.90 CXCR4 (0.46) CHRNA7EGLN1CXCR4
SCHEMBL9742041 0.90 CHRNA7 (0.44) CHRNA7EGLN1CXCR4FNTAFNTB
SCHEMBL12836268 0.87 CXCR4 (0.46) CXCR4FNTAFNTBHTR2AHTR2C
SCHEMBL9934555 0.86 FNTA (0.53) CXCR4KCNH2FNTAFNTBHTR2A
SCHEMBL9933651 0.86 FNTA (0.53) CXCR4KCNH2FNTAFNTBHTR2A
SCHEMBL9963450 0.82 CXCR4 (0.46) EGLN1CXCR4OPRL1KCNH2
SCHEMBL9933633 0.81 FNTA (0.45) FNTAFNTB
SCHEMBL9965950 0.80 FNTA (0.51) EGLN1CXCR4KCNH2FNTAFNTB
SCHEMBL9932907 0.80 FNTA (0.51) EGLN1CXCR4KCNH2FNTAFNTB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0456279-B1 Condensed piperidine derivatives, intermediates and process for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1996-01-03 EP disclosed
EP-0306356-B1 CONDENSED PIPERIDINE DERIVATIVES, INTERMEDIATES AND PROCESS FOR THEIR PREPARATION , THEIR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ROUSSEL-UCLAF (FR) 1993-05-19 EP disclosed
US-5126353-A Also used as analgesics, diuretics, hypotensive agents, antiischemic agents ROUSSEL UCLAF (FR) 1992-06-30 US disclosed
EP-0456279-A1 Condensed piperidine derivatives, intermediates and process for their preparation, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1991-11-13 EP disclosed
US-4927832-A DIURETIC, ANTIARRYTHMIA, ANTIISCHEMIC, HYPOTENSIVE ROUSSEL UCLAF (FR) 1990-05-22 US disclosed
EP-0306356-A1 Condensed piperidine derivatives, intermediates and process for their preparation , their use as medicaments and pharmaceutical compositions containing them ROUSSEL-UCLAF (FR) 1989-03-08 EP disclosed