SCHEMBL7717801

SCHEMBL7717801

COc1ccccc1N1CCN(CCn2cnc3sc4c(c3c2=N)CCN(C)C4)CC1

nearest known ligand 0.81

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 0.81
ADRA1D P25100 20/20 0.81
HTR1B P28222 20/20 0.81
ADRA1A P35348 20/20 0.81
ADRA1B P35368 20/20 0.81

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
SCHEMBL7719467 0.95 HTR1A (0.73) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7720230 0.94 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6997238 0.90 HTR1A (1.00) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6994225 0.87 HTR1A (0.63) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7719545 0.85 HTR1A (0.80) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6994812 0.85 HTR1A (0.90) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7719577 0.85 HTR1A (0.60) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7000114 0.84 HTR1A (0.61) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7719473 0.83 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6995966 0.83 HTR1A (0.72) 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-6222034-B1 AS SEROTININ RECEPTOR ANTAGONISTS; FOR THERAPY OF DEPRESSION, CENTRAL NERVOUS SYSTEM DISORDERS BASF AKTIENGESELLSCHAFT (DE) 2001-04-24 US disclosed