SCHEMBL8946438

SCHEMBL8946438

CCN1c2ccccc2[C@@H]2Cc3ccccc3[C@@H]21

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
HRH1 P35367 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
SLC6A4 P31645 1/20 0.36
ADRA1A P35348 1/20 0.36
HTR2B P41595 1/20 0.36
KCNH2 Q12809 1/20 0.36
PRCP P42785 2/20 0.35
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34

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
SCHEMBL8946449 1.00 SIGMAR1 (0.38) SIGMAR1HRH1ADRA2AADRA2BADRA2C
SCHEMBL8946443 1.00 SIGMAR1 (0.38) SIGMAR1HRH1ADRA2AADRA2BADRA2C
SCHEMBL8946337 0.81 AVPR2 (0.33) SIGMAR1
SCHEMBL8946326 0.81 AVPR2 (0.33) SIGMAR1
SCHEMBL8946880 0.80 PRCP (0.48) SIGMAR1ADRA1APRCP
SCHEMBL8946747 0.78 ADRA2A (0.41) HRH1ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL8946743 0.78 ADRA2A (0.41) HRH1ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL8946720 0.78 ADRA2A (0.41) HRH1ADRA2AADRA2BADRA2CSLC6A2
SCHEMBL21152712 0.77 SIGMAR1 (0.42) SIGMAR1
SCHEMBL11359103 0.70 HRH1 (0.58) HRH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5516788-A TREATMENT OF ATHEROSCLEROSIS; ANTIISCHEMIC, ANTICARCINOGENIC AGENTS; ANTICOAGULANTS UNIVERSITY OF BATH (GB) 1996-05-14 US disclosed
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP disclosed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP disclosed
WO-1990015799-A1 INDENOINDOLE COMPOUNDS II UNIVERSITY OF BATH (GB) 1990-12-27 WO disclosed