SCHEMBL14435983

SCHEMBL14435983

CC(Cc1cc(Cl)ccc1C1CCNCC1)CN1CC[C@@H](F)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 8/20 0.39
▸ SLC6A2 P23975 5/20 0.37
▸ SLC6A4 P31645 5/20 0.37
▸ SLC6A3 Q01959 3/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ NOS1 P29475 2/20 0.36
▸ NOS2 P35228 2/20 0.36
▸ NOS3 P29474 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ SIGMAR1 Q99720 2/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL12737875 0.88 HTR6 (0.38) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12737970 0.87 SLC6A2 (0.40) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13941325 0.74 HTR6 (0.40) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13002978 0.73 CALCA (0.45) —
SCHEMBL12713217 0.68 CNR1 (0.42) POLB
SCHEMBL13003120 0.68 HTR6 (0.40) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12737348 0.67 KCNH2 (0.41) HTR6SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL13941152 0.66 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL12713199 0.66 SMN1; SMN2 (0.45) POLB
SCHEMBL12738170 0.66 HRH3 (0.41) HTR6SLC6A2SLC6A4SLC6A3KCNH2

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
WO-2007096186-A1 SUBSTITUTED PHENYLPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS SANTHERA PHARMACEUTICALS (SCHWEIZ) AG (CH) 2007-08-30 — — WO disclosed
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