SCHEMBL4961277

SCHEMBL4961277

O=C([C@H]1CCCNC1)N(c1cccc(C(F)(F)F)c1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ RXFP1 Q9HBX9 4/20 0.41
▸ TACR1 P25103 1/20 0.40
▸ CNR1 P21554 1/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ IDH2 P48735 1/20 0.39
▸ EPHX2 P34913 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HTR2A P28223 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHRM2 P08172 1/20 0.38
▸ CHRM3 P20309 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
SCHEMBL4961245 0.86 MLYCD (0.41) RXFP1TACR1SLC6A2SLC6A4SMN1; SMN2
SCHEMBL4962731 0.84 TRPM8 (0.41) POLBRAB9ASLC6A2SLC6A4ALDH1A1
SCHEMBL4963040 0.83 CHRM2 (0.52) RAB9ASLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL4962814 0.83 CHRM2 (0.52) RAB9ASLC6A2SLC6A4ALDH1A1SMN1; SMN2
SCHEMBL4960546 0.81 MTNR1A (0.44) POLBRAB9A
SCHEMBL4961286 0.77 SLC6A2 (0.50) SLC6A2SLC6A4
SCHEMBL27550043 0.77 POLB (0.50) POLBRAB9AEPHX2ALDH1A1SMN1; SMN2
SCHEMBL4963973 0.77 REN (0.39) SLC6A2SLC6A4ALDH1A1
SCHEMBL11799330 0.75 ALDH1A1 (0.50) POLBRAB9AALDH1A1
SCHEMBL4961292 0.75 CHRM2 (0.48) RAB9ASLC6A2SLC6A4ALDH1A1SMN1; SMN2

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-1758580-A4 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORP (US) 2008-01-16 — — EP claimed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 — — EP claimed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 — — WO claimed
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