SCHEMBL13934317

SCHEMBL13934317

CNCCCCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.59
▸ HRH1 P35367 2/20 0.59
▸ SLC6A3 Q01959 6/20 0.48
▸ CACNA1B Q00975 2/20 0.48
▸ SCN5A Q14524 1/20 0.46
▸ SLC6A4 P31645 1/20 0.45
▸ TAAR1 Q96RJ0 1/20 0.44
▸ MITF O75030 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ HTT P42858 2/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ GPR35 Q9HC97 1/20 0.43
▸ GPR55 Q9Y2T6 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ TBXA2R P21731 1/20 0.43
▸ CYP19A1 P11511 1/20 0.42
▸ SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL11583277 0.93 HTR2A (0.69) HTR2AHRH1SLC6A3CACNA1BSCN5A
SCHEMBL6411629 0.85 HTR2A (0.67) HTR2AHRH1SLC6A3CACNA1BSLC6A4
SCHEMBL25771917 0.80 SLC6A4 (0.41) HTR2AHRH1SLC6A3CACNA1BSCN5A
SCHEMBL14288444 0.79 TBXA2R (0.46) HTR2ASLC6A3CACNA1BSCN5AMAPK1
SCHEMBL7789674 0.77 CYP19A1 (0.46) SLC6A3CACNA1BSCN5AMITFLMNA
SCHEMBL16805893 0.76 MEN1 (0.50) HTR2AHRH1CACNA1BSLC6A4TAAR1
SCHEMBL5089274 0.76 CYP19A1 (0.45) SLC6A3CACNA1BSCN5ALMNAHTT
SCHEMBL6902789 0.76 CYP19A1 (0.45) SLC6A3CACNA1BSCN5ALMNAHTT
SCHEMBL5092009 0.76 HRH1 (0.55) HTR2AHRH1SLC6A3SCN5ATAAR1
SCHEMBL8251123 0.76 HRH1 (0.55) HTR2AHRH1SLC6A3SCN5ATAAR1

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
US-7507760-B2 N-type calcium channel blockers NEUROMED PHARMACEUTICALS LTD. (CA) 2009-03-24 — — US disclosed
Send feedback