SCHEMBL13003120

SCHEMBL13003120

CN1CCC[C@H](Cc2cc(Cl)ccc2C2CCNCC2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 2/20 0.40
▸ NOS1 P29475 3/20 0.39
▸ NOS2 P35228 3/20 0.39
▸ KCNH2 Q12809 1/20 0.38
▸ LSS P48449 2/20 0.38
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ HTR1A P08908 2/20 0.37
▸ OPRL1 P41146 1/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ FNTA P49354 2/20 0.36
▸ FNTB P49356 2/20 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
SCHEMBL22542152 0.79 SLC6A2 (0.42) HTR6SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL20883813 0.76 HTR1D (0.38) HTR6SLC6A4SLC6A2SLC6A3
SCHEMBL12737350 0.75 SLC6A4 (0.48) HTR6SLC6A4SLC6A2SLC6A3HTR1A
SCHEMBL12737348 0.73 KCNH2 (0.41) HTR6KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL12738170 0.72 HRH3 (0.41) HTR6KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL12737970 0.71 SLC6A2 (0.40) HTR6NOS1NOS2SLC6A4SLC6A2
SCHEMBL21216508 0.70 LSS (0.55) LSSSLC6A4SLC6A2L3MBTL1
SCHEMBL724315 0.69 KMT2A (0.41) HTR6KCNH2SLC6A4SLC6A2SLC6A3
SCHEMBL13941325 0.69 HTR6 (0.40) HTR6NOS1NOS2KCNH2SLC6A4
SCHEMBL22542136 0.68 HTR2C (0.49) HTR6SLC6A4SLC6A2SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2004604-B1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS CH (CH) 2010-12-01 — — EP disclosed
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