SCHEMBL7386664

SCHEMBL7386664

CC(=O)NC1(C)CCN(c2nccc(Cl)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PANK3 Q9H999 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ACACB O00763 6/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ PTPN11 Q06124 5/20 0.37
▸ ACHE P22303 2/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ CRBN Q96SW2 1/20 0.36

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
SCHEMBL7394146 0.84 PANK3 (0.42) PANK3CYP3A4PTPN11ACHEDRD2
SCHEMBL7390806 0.80 TRPV1 (0.49) —
SCHEMBL7393573 0.78 HTR3E (0.51) KDM4EALDH1A1HPGDHSD17B10MEN1
SCHEMBL7391400 0.76 PTPN11 (0.53) PANK3PTPN11
SCHEMBL20425052 0.75 PANK3 (0.60) PANK3MEN1KMT2APTPN11ACHE
Fumaric Acid SCHEMBL8699041 0.75 PTPN11 (0.47) PANK3PTPN11
SCHEMBL22320681 0.75 ACHE (0.38) PANK3KDM4EALDH1A1HPGDHSD17B10
Maleic Acid SCHEMBL8699032 0.75 PTPN11 (0.47) PANK3PTPN11
SCHEMBL15260451 0.74 PANK3 (0.46) PANK3KDM4EPTPN11
SCHEMBL7384813 0.73 KDM4E (0.48) KDM4EALDH1A1HPGDHSD17B10MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5723611-A Heteroarylpiperidines SANOFI (FR) 1998-03-03 — — US disclosed
US-5595994-A 1-Halopyrazin- and 1-halopyrimidin-4-amino-4-alkylpiperidines SANOFI (FR) 1997-01-21 — — US disclosed
US-5502063-A 1-halopyridin-4-amino-4-alkylpiperidines SANOFI (FR) 1996-03-26 — — US disclosed
EP-0647639-A1 Heteroarylpiperidines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-04-12 — — EP disclosed
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