SCHEMBL4961245

SCHEMBL4961245

O=C([C@H]1CCCNC1)N(c1ccc(C(F)(F)F)cc1)C1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 1/20 0.41
▸ SLC6A4 P31645 3/20 0.39
▸ SLC6A2 P23975 2/20 0.39
▸ TACR1 P25103 2/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CHRM3 P20309 2/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SLC6A1 P30531 2/20 0.38
▸ SLC6A11 P48066 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ SLC6A13 Q9NSD5 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ ATM Q13315 1/20 0.37
▸ CYP2D6 P10635 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
SCHEMBL4961277 0.86 POLB (0.42) SLC6A4SLC6A2TACR1RXFP1CHRM2
SCHEMBL4962814 0.85 CHRM2 (0.52) SLC6A4SLC6A2CHRM2CHRM3KCNH2
SCHEMBL4963040 0.85 CHRM2 (0.52) SLC6A4SLC6A2CHRM2CHRM3KCNH2
SCHEMBL4963973 0.83 REN (0.39) SLC6A4SLC6A2KCNH2LMNAKDM4E
SCHEMBL4960293 0.82 TRPM8 (0.50) KCNH2
SCHEMBL4961872 0.80 SLC6A2 (0.46) SLC6A4SLC6A2CHRM2CHRM3KCNH2
SCHEMBL948457 0.80 SLC6A4 (0.48) MLYCDSLC6A4SLC6A2TACR1KCNH2
SCHEMBL949410 0.80 SLC6A4 (0.48) MLYCDSLC6A4SLC6A2TACR1KCNH2
SCHEMBL948455 0.80 SLC6A4 (0.48) MLYCDSLC6A4SLC6A2TACR1KCNH2
SCHEMBL4961286 0.79 SLC6A2 (0.50) SLC6A4SLC6A2SLC6A1SLC6A11TSHR

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 disclosed
EP-1758580-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS Incyte Corporation (US) 2007-03-07 — — EP disclosed
WO-2006012226-A2 N-SUBSTITUTED PIPERIDINES AND THEIR USE AS PHARMACEUTICALS INCYTE CORPORATION (US) 2006-02-02 — — WO disclosed
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