SCHEMBL7333387

SCHEMBL7333387

NCCc1c[nH]c2ccc(-n3ccc(=O)cc3)cc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 12/20 0.54
HTR1A P08908 10/20 0.54
HTR1B P28222 9/20 0.54
HTR2A P28223 8/20 0.54
HTR2C P28335 5/20 0.54
HTR7 P34969 5/20 0.54
TRPM8 Q7Z2W7 4/20 0.54
CYP1A2 P05177 4/20 0.54
HTR6 P50406 4/20 0.54
TSHR P16473 3/20 0.54
HTR2B P41595 2/20 0.54
HTR5A P47898 2/20 0.54
HTR4 Q13639 2/20 0.54
MPO P05164 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
TAAR1 Q96RJ0 2/20 0.54
HTR3E A5X5Y0 1/20 0.54
HTR3B O95264 1/20 0.54
CYP2C9 P11712 1/20 0.54

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
SCHEMBL7334134 0.83 HTR1D (0.70) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL8118432 0.81 HTR1D (0.70) HTR1DHTR1BHTR2ATRPM8MPO
SCHEMBL27461445 0.80 CSNK2A1 (0.55) HTR1DHTR1AHTR1BMPO
SCHEMBL2847185 0.73 HTR1D (0.70) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL27320748 0.72 HTR1D (0.52) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL6938670 0.71 HTR1A (0.72) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL387663 0.70 MPO (1.00) HTR1DHTR1AHTR1BHTR2AHTR2C
Serotonin SCHEMBL1495 0.70 HTR2C (1.00) HTR1DHTR1AHTR1BHTR2AHTR2C
Serotonin SCHEMBL29349412 0.70 HTR2C (1.00) HTR1DHTR1AHTR1BHTR2AHTR2C
SCHEMBL8396474 0.70 HTR1D (0.66) HTR1DHTR1AHTR1BHTR2AHTR2C

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-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP claimed
CN-1092765-A New tryptamine analogues and preparation method thereof and purposes SMITHKLINE BEECHAM PLC (GB) 1994-09-28 CN claimed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO claimed
EP-0674620-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
CN-1092765-A New tryptamine analogues and preparation method thereof and purposes SMITHKLINE BEECHAM PLC (GB) 1994-09-28 CN disclosed
WO-1994014771-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed