SCHEMBL7673544

SCHEMBL7673544

CCOC(=O)N1Cc2sc3ncn(CCN4CCN(c5ccccc5OC)CC4)c(=O)c3c2C1

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.72
ADRA1D P25100 19/20 0.72
HTR1B P28222 19/20 0.72
ADRA1A P35348 19/20 0.72
ADRA1B P35368 19/20 0.72
P2RX3 P56373 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
SCHEMBL7672277 0.91 HTR1A (0.71) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7675059 0.91 HTR1A (0.75) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7676350 0.91 HTR1A (0.70) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7672258 0.88 HTR1A (0.71) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7677490 0.87 HTR1A (0.79) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7677080 0.87 HTR1A (0.74) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6993146 0.87 HTR1A (0.73) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6992081 0.87 HTR1A (0.81) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7676939 0.86 HTR1A (0.53) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7673577 0.86 HTR1A (0.67) 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