SCHEMBL9830738

SCHEMBL9830738

CN(CCc1c[nH]c2ccc(C#N)cc12)Cc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.67
SLC6A4 P31645 9/20 0.63
LMNA P02545 1/20 0.51
GAA P10253 1/20 0.51
TRPM8 Q7Z2W7 2/20 0.50
HTR1D P28221 2/20 0.50
TRPV1 Q8NER1 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KMT2A Q03164 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL12204700 0.88 TRPM8 (0.66) HTR6SLC6A4TRPM8HTR1DTRPV1
SCHEMBL9827801 0.86 SLC6A4 (0.58) HTR6SLC6A4TRPM8HTR1DTRPV1
SCHEMBL24243716 0.84 SLC6A4 (0.70) SLC6A4HTR1DSLC6A3
SCHEMBL1122134 0.82 SLC6A4 (0.85) HTR6SLC6A4HTR1D
SCHEMBL8914786 0.82 HTR6 (0.71) HTR6SLC6A4LMNAGAATRPM8
SCHEMBL2404720 0.82 HTR6 (0.71) HTR6SLC6A4LMNAGAATRPM8
SCHEMBL8416479 0.82 HTR6 (0.71) HTR6SLC6A4LMNAGAATRPM8
SCHEMBL25172857 0.81 LMNA (0.76) HTR6SLC6A4LMNAGAATRPM8
SCHEMBL10745433 0.81 HTR6 (0.69) HTR6SLC6A4LMNAGAATRPM8
SCHEMBL4834747 0.80 SLC6A4 (0.59) HTR6SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0225726-B1 INDOLE DERIVATIVES GLAXO GROUP LIMITED (GB) 1991-04-17 EP disclosed
US-4833153-A VASOCONSTRICTORS, MIGRAINES GLAXO GROUP LIMITED (GB) 1989-05-23 US disclosed
EP-0225726-A1 Indole derivatives GLAXO GROUP LIMITED (GB) 1987-06-16 EP disclosed
US-4672067-A 5-substituted 3-aminoalkyl indoles useful in treatment of migraine GLAXO GROUP LIMITED (GB) 1987-06-09 US disclosed
US-4252803-A HYPOTENSIVE AGENTS, ANALGESICS GLAXO GROUP LIMITED (GB) 1981-02-24 US disclosed