SCHEMBL7673577

SCHEMBL7673577

CCOC(=O)N1Cc2sc3ncn(CCN4CCCN(c5cccc6ccccc56)CC4)c(=O)c3c2C1

nearest known ligand 0.67

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.67
ADRA1D P25100 20/20 0.67
HTR1B P28222 20/20 0.67
ADRA1A P35348 20/20 0.67
ADRA1B P35368 20/20 0.67
DRD2 P14416 2/20 0.57
HTR2A P28223 2/20 0.57
HTR7 P34969 2/20 0.57
DRD3 P35462 2/20 0.57
HTR2C P28335 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
SCHEMBL7672258 0.97 HTR1A (0.71) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7665897 0.88 HTR1A (0.75) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7672277 0.88 HTR1A (0.71) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7676350 0.87 HTR1A (0.70) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7666014 0.87 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7673544 0.86 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7668347 0.85 HTR1A (0.58) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7677080 0.85 HTR1A (0.74) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7001148 0.84 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7672508 0.84 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6355647-B1 INHIBIT THE SEROTONIN REUPTAKE. HYPERPROLACTINEMIA, VASOSPASMS, HYPERTENSION, GASTROINTESTINAL DISORDERS ASSOCIATED WITH MOTILITY AND SECRETION ABBOTT LABORATORIES 2002-03-12 US disclosed