SCHEMBL11583277

SCHEMBL11583277

CNCCCC(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 2/20 0.69
▸ HRH1 P35367 2/20 0.69
▸ CACNA1B Q00975 2/20 0.54
▸ SCN5A Q14524 1/20 0.51
▸ SLC6A4 P31645 2/20 0.47
▸ TAAR1 Q96RJ0 1/20 0.47
▸ MITF O75030 2/20 0.45
▸ LMNA P02545 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ CNR1 P21554 1/20 0.45
▸ CNR2 P34972 1/20 0.45
▸ GPR35 Q9HC97 1/20 0.45
▸ GPR55 Q9Y2T6 1/20 0.45
▸ XBP1 P17861 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ HRH3 Q9Y5N1 1/20 0.45
▸ CYP19A1 P11511 1/20 0.44
▸ SLC6A3 Q01959 2/20 0.44
▸ KMT2A Q03164 2/20 0.43

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
SCHEMBL13934317 0.93 HTR2A (0.59) HTR2AHRH1CACNA1BSCN5ASLC6A4
SCHEMBL6411629 0.88 HTR2A (0.67) HTR2AHRH1CACNA1BSLC6A4TAAR1
SCHEMBL16805893 0.83 MEN1 (0.50) HTR2AHRH1CACNA1BSLC6A4TAAR1
SCHEMBL28113806 0.82 HTR2A (1.00) HTR2AHRH1SLC6A4LMNAHTT
Bromide SCHEMBL11583932 0.80 SCN5A (0.55) HTR2AHRH1CACNA1BSCN5AMITF
Hydrochloric Acid SCHEMBL11389802 0.80 HTR2A (0.96) HTR2AHRH1SLC6A4TAAR1LMNA
SCHEMBL7387826 0.80 CACNA1B (0.60) HTR2AHRH1CACNA1BSCN5AHTT
SCHEMBL904927 0.78 CYP19A1 (0.47) CACNA1BSCN5AMITFLMNAHTT
SCHEMBL25771917 0.76 SLC6A4 (0.41) HTR2AHRH1CACNA1BSCN5ASLC6A4
SCHEMBL7789674 0.76 CYP19A1 (0.46) CACNA1BSCN5AMITFLMNAMAPK1

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
US-4098890-A METHOD FOR TREATING ARRHYTHMIA ELI LILLY AND COMPANY (US) 1978-07-04 — — US disclosed
US-3987201-A ARYL AMINES ELI LILLY AND COMPANY (US) 1976-10-19 — — US disclosed
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