SCHEMBL6991375

SCHEMBL6991375

CC(C)c1cc(N2CCN(CCn3cnc4sc5c(c4c3=N)CCN(C)C5)CC2)ncn1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 19/20 0.51
ADRA1D P25100 19/20 0.51
HTR1B P28222 19/20 0.51
ADRA1A P35348 19/20 0.51
ADRA1B P35368 19/20 0.51
LMNA P02545 1/20 0.48
DRD2 P14416 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
DRD3 P35462 1/20 0.47

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
Hydrochloric Acid SCHEMBL7722093 0.99 HTR1A (0.51) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6992079 0.80 HTR1A (0.59) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6993889 0.76 HTR1A (0.50) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7717801 0.75 HTR1A (0.81) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6992474 0.75 HTR1A (0.53) HTR1AADRA1DHTR1BADRA1AADRA1B
Hydrochloric Acid SCHEMBL7719545 0.75 HTR1A (0.80) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL7719473 0.72 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6995966 0.72 HTR1A (0.72) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6991377 0.72 HTR1A (0.36) HTR1AADRA1DHTR1BADRA1AADRA1B
SCHEMBL6993368 0.72 HTR1A (0.49) 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
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