SCHEMBL8946433

SCHEMBL8946433

Cc1ccc2c(c1)[C@@H]1Cc3ccccc3[C@@H]1N2C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
HTR6 P50406 1/20 0.39
TRPM5 Q9NZQ8 1/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
OPRM1 P35372 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
SCHEMBL8946442 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR6TRPM5
SCHEMBL8946437 1.00 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3HTR6TRPM5
SCHEMBL8946747 0.84 ADRA2A (0.41) SLC6A2SLC6A4CHRNB2CHRNA4HTR2A
SCHEMBL8946743 0.84 ADRA2A (0.41) SLC6A2SLC6A4CHRNB2CHRNA4HTR2A
SCHEMBL8946720 0.84 ADRA2A (0.41) SLC6A2SLC6A4CHRNB2CHRNA4HTR2A
SCHEMBL24300090 0.84 OPRM1 (0.41) SLC6A2SLC6A4HTR2AHTR2COPRM1
SCHEMBL8946972 0.82 HTR2A (0.45) SLC6A2SLC6A4SLC6A3MAPTDRD2
SCHEMBL8946506 0.82 KDM4E (0.43) SLC6A2SLC6A4ALDH1A1KDM4EMAPT
SCHEMBL8946988 0.82 HTR2A (0.45) SLC6A2SLC6A4SLC6A3MAPTDRD2
SCHEMBL8946497 0.82 KDM4E (0.43) SLC6A2SLC6A4ALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409410-B1 Indenoindole compounds UNIV BATH (GB) 1996-03-20 EP claimed
EP-0409410-A1 Indenoindole compounds UNIVERSITY OF BATH (GB) 1991-01-23 EP claimed
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