SCHEMBL4963973

SCHEMBL4963973

O=C([C@H]1CCCNC1)N(c1ccc(C(F)(F)F)cn1)C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.39
▸ CDK9 P50750 2/20 0.38
▸ CHEK1 O14757 1/20 0.37
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ ABL1 P00519 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HCRTR1 O43613 2/20 0.36
▸ OPRD1 P41143 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ KCNH2 Q12809 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
SCHEMBL4961245 0.83 MLYCD (0.41) SLC6A2SLC6A4KDM4ELMNAKCNH2
SCHEMBL4961341 0.80 ALDH1A1 (0.55) KDM4ELMNAOPRD1ALDH1A1
SCHEMBL4962367 0.78 RPLP1 (0.40) CDK9KDM4ELMNAOPRD1ALDH1A1
SCHEMBL4961277 0.77 POLB (0.42) SLC6A2SLC6A4ALDH1A1
SCHEMBL4961387 0.77 CDK9 (0.41) RENCDK9KDM4ELMNAKCNH2
SCHEMBL4963215 0.74 USP30 (0.42) RENCDK9CHEK1KCNH2
SCHEMBL4961286 0.74 SLC6A2 (0.50) CDK9SLC6A2SLC6A4LMNA
SCHEMBL4962175 0.74 CDK9 (0.40) RENCDK9CHEK1KCNH2
SCHEMBL4961926 0.74 CDK9 (0.41) CDK9CHEK1
SCHEMBL4964703 0.74 CDK9 (0.42) CDK9ABL1KCNH2

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-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
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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