SCHEMBL7668347

SCHEMBL7668347

CCOC(=O)N1Cc2sc3ncn(CCN4CCN(c5cccc6c5CCC6)CC4)c(=O)c3c2C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 18/20 0.58
ADRA1D P25100 18/20 0.58
HTR1B P28222 18/20 0.58
ADRA1A P35348 18/20 0.58
ADRA1B P35368 18/20 0.58
RXFP1 Q9HBX9 1/20 0.51
PKM P14618 1/20 0.50

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 0.89 HTR1A (0.71) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7676350 0.87 HTR1A (0.70) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7672258 0.86 HTR1A (0.71) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7673544 0.85 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7673577 0.85 HTR1A (0.67) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7667597 0.83 RXFP1 (0.55) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6996801 0.83 HTR1A (0.59) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6990815 0.83 HTR1A (0.78) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7666014 0.82 HTR1A (0.62) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7722181 0.82 HTR1A (0.77) 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