SCHEMBL7839191

SCHEMBL7839191

[c]1cccc(C2CCNCC2)c1C1CCCCCC1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.45
SLC6A2 P23975 7/20 0.40
SLC6A4 P31645 7/20 0.40
SLC6A3 Q01959 7/20 0.40
HTR1A P08908 6/20 0.40
SLC18A3 Q16572 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
ADRB2 P07550 1/20 0.37
HRH4 Q9H3N8 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
SCHEMBL9644212 0.90 PTGDR2 (0.36) HTR1A
SCHEMBL529103 0.90 PTGDR2 (0.36) HTR1A
SCHEMBL1819043 0.88 HTR1A (0.36) HTR1A
SCHEMBL9586481 0.80 HTR2C (0.31) HTR2C
SCHEMBL16958502 0.80 HTR2C (0.31) HTR2C
SCHEMBL27657795 0.75 HTR2C (0.53) HTR2CSLC6A2SLC6A4HTR1ASLC18A3
SCHEMBL432692 0.74 PTGS2 (0.37) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL7837737 0.72 PTGS2 (0.38) HTR2CHTR1A
SCHEMBL7251985 0.71 HTR2C (0.61) HTR2CSLC6A2SLC6A4SLC6A3HTR1A
SCHEMBL21854717 0.71 CHRNB2 (0.39) SLC6A2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1102762-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER INC. (US) 2001-05-30 EP disclosed
WO-2000008013-A2 2-SUBSTITUTED-1-PIPERIDYL BENZIMIDAZOLE COMPOUNDS AS ORL1-RECEPTOR AGONISTS PFIZER PHARMACEUTICALS INC. (JP) 2000-02-17 WO disclosed