SCHEMBL7676809

SCHEMBL7676809

CCN1Cc2sc3ncn(CCN4CCN(c5ncccn5)CC4)c(=O)c3c2C1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.56
ADRA1D P25100 20/20 0.56
HTR1B P28222 20/20 0.56
ADRA1A P35348 20/20 0.56
ADRA1B P35368 20/20 0.56
DRD2 P14416 2/20 0.55
HTR2A P28223 2/20 0.55
HTR7 P34969 2/20 0.55
DRD3 P35462 2/20 0.55
HTR2C P28335 1/20 0.55

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
SCHEMBL7676469 0.94 HTR1A (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6996817 0.92 HTR1A (0.55) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7672254 0.89 HTR1A (0.58) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6992679 0.87 HTR1A (0.49) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6998104 0.86 HTR1A (0.74) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7670969 0.85 HTR1A (0.77) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7667597 0.85 RXFP1 (0.55) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7675263 0.83 HTR1A (0.67) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7677490 0.83 HTR1A (0.79) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7672508 0.83 HTR1A (0.79) HTR1AADRA1DHTR1BADRA1AADRA1B

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-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed
US-6355647-B1 INHIBIT THE SEROTONIN REUPTAKE. HYPERPROLACTINEMIA, VASOSPASMS, HYPERTENSION, GASTROINTESTINAL DISORDERS ASSOCIATED WITH MOTILITY AND SECRETION ABBOTT LABORATORIES 2002-03-12 US disclosed