SCHEMBL9048898

SCHEMBL9048898

c1cc2c3c(ccc2s1)NCC3

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
HTR2C P28335 1/20 0.37
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL20423531 0.71 ADRA2A (0.34) HTR2CADRA2AADRA2BDRD2
SCHEMBL9851225 0.68 HTR2C (0.35) HTR2CADRA2AADRA2BKDM4EMAPT
Iodide SCHEMBL5402073 0.68 NOTUM (0.44) NOTUMKDM4EMAPT
SCHEMBL29352476 0.67 KDM4E (0.45) HTR2CADRA2AADRA2BKDM4EMAPT
SCHEMBL582334 0.65 NOTUM (0.46) NOTUMKDM4E
SCHEMBL6989045 0.65
Hydrochloric Acid SCHEMBL8013061 0.64 NOTUM (0.44) NOTUMKDM4E
Bromide SCHEMBL5406141 0.64 NOTUM (0.44) NOTUMKDM4E
Bromide SCHEMBL8014734 0.64 NOTUM (0.44) NOTUMKDM4E
Hydrochloric Acid SCHEMBL5396075 0.64 NOTUM (0.44) NOTUMKDM4E

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-0691973-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-01-17 EP disclosed
WO-1994022871-A1 THIENO-INDOLE DERIVATIVES AS 5HT2c AND 5HT2b ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-10-13 WO disclosed