SCHEMBL8307601

SCHEMBL8307601

O=c1n(CCCCN2CCN(c3cccc4c3OCCO4)CC2)c2ccccc2n1-c1ccc(F)cc1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.58
HTR7 P34969 2/20 0.57

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
SCHEMBL8153840 0.94 HTR7 (0.56) HTR1AHTR7
SCHEMBL8685080 0.83 HTR1A (0.51) HTR1A
SCHEMBL12124554 0.82 HTR7 (0.69) HTR7
SCHEMBL12124682 0.80 HTR7 (0.73) HTR1AHTR7
SCHEMBL15064317 0.73 HTR1A (1.00) HTR1A
SCHEMBL12124546 0.73 TMEM97 (0.57)
SCHEMBL791806 0.72 HTR1A (0.72) HTR1A
SCHEMBL8688037 0.72 HTR1A (0.48) HTR1AHTR7
SCHEMBL792717 0.72 HTR1A (0.64) HTR1AHTR7
SCHEMBL12124580 0.72

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-0673375-B1 FUSED BENZO COMPOUNDS LUNDBECK & CO AS H (DK) 1999-02-24 EP claimed
EP-0662076-A1 2-AMINOALKYL-5-AMINOALKYLAMINO SUBSTITUTED ISOQUINOINDAZOLE-6-(2H)-ONES WITH ANTITUMOUR ACTIVITY THE UNIVERSITY OF VERMONT (US) 1995-07-12 EP claimed
EP-0673375-B1 FUSED BENZO COMPOUNDS LUNDBECK & CO AS H (DK) 1999-02-24 EP disclosed
EP-0673375-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1995-09-27 EP disclosed
WO-1994013659-A1 FUSED BENZO COMPOUNDS H. LUNDBECK A/S (DK) 1994-06-23 WO disclosed