SCHEMBL7804070

SCHEMBL7804070

c1ccc(CN2CCC[C@H]2Cc2c[nH]c3ccc(-n4cnnc4)cc23)cc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.65
HTR1B P28222 19/20 0.65

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
SCHEMBL7804905 1.00 HTR1D (0.65) HTR1DHTR1B
SCHEMBL7804051 0.90 HTR1D (0.73) HTR1DHTR1B
SCHEMBL7804074 0.90 HTR1D (0.62) HTR1DHTR1B
SCHEMBL7798117 0.84 HTR1D (0.64) HTR1DHTR1B
SCHEMBL7808656 0.82 GABRP (0.65) HTR1DHTR1B
SCHEMBL9021850 0.81 HTR1B (0.68) HTR1DHTR1B
SCHEMBL9077698 0.81 HTR1B (0.68) HTR1DHTR1B
SCHEMBL9117342 0.79 HTR1D (0.53) HTR1DHTR1B
SCHEMBL8662143 0.78 HTR1D (0.63) HTR1DHTR1B
SCHEMBL9117455 0.78 HTR1D (0.54) HTR1DHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741722-B1 TRIAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-06-13 EP claimed
EP-0741722-A1 TRIAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-11-13 EP claimed
WO-1995021166-A1 TRIAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1995-08-10 WO claimed
EP-0741722-B1 TRIAZOLE DERIVATIVES MERCK SHARP & DOHME (GB) 2001-06-13 EP disclosed
EP-0741722-A1 TRIAZOLE DERIVATIVES MERCK SHARP & DOHME LTD. (GB) 1996-11-13 EP disclosed
WO-1995021166-A1 TRIAZOLE DERIVATIVES MERCK SHARP & DOHME LIMITED (GB) 1995-08-10 WO disclosed