SCHEMBL6992079

SCHEMBL6992079

CN1CCc2c(sc3ncn(CCN4CCN(c5ncccn5)CC4)c(=N)c23)C1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.59
ADRA1D P25100 19/20 0.59
HTR1B P28222 19/20 0.59
ADRA1A P35348 19/20 0.59
ADRA1B P35368 19/20 0.59
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 0.57
LMNA P02545 1/20 0.57

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
SCHEMBL6992474 0.94 HTR1A (0.53) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6998104 0.88 HTR1A (0.74) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7717801 0.83 HTR1A (0.81) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6992475 0.83 HTR1A (0.66) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7718492 0.83 HTR1A (0.66) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7719545 0.82 HTR1A (0.80) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6991375 0.80 HTR1A (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6993889 0.80 HTR1A (0.50) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7719473 0.80 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6995966 0.80 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
EP-0927184-B1 3-SUBSTITUTED PYRIDO 4',3':4,5]THIENO 2,3-D]PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND THEIR USE ABBOTT GMBH & CO KG (DE) 2003-10-22 EP disclosed
US-6387912-B1 STROKE THERAPY BASF AKTIENGESELLSCHAFT (DE) 2002-05-14 US disclosed