SCHEMBL7420610

SCHEMBL7420610

Cn1ccc2c3c(ccc21)NCCC3

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.39
GRIA2 P42262 1/20 0.39
GRIA3 P42263 1/20 0.39
GRIA4 P48058 1/20 0.39
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
CXCR4 P61073 1/20 0.33
PSMB5 P28074 1/20 0.33
DRD2 P14416 2/20 0.32
DHFR P00374 1/20 0.32
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
NOTUM Q6P988 1/20 0.32
LMNA P02545 1/20 0.31
TP53 P04637 1/20 0.31
GAA P10253 1/20 0.31
THRB P10828 1/20 0.31
ALOX15 P16050 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
SCHEMBL7416358 0.90 NOTUM (0.41) HTR2AHTR2CDRD2DHFRKDM4E
Hydrochloric Acid SCHEMBL7416277 0.89 NOTUM (0.40) HTR2AHTR2CDHFRKDM4EMAPT
SCHEMBL20571761 0.75 PSMB5 (0.49) GRIA1GRIA2GRIA3GRIA4PSMB5
Hydrochloric Acid SCHEMBL30529512 0.73 PSMB5 (0.48) GRIA1GRIA2GRIA3GRIA4PSMB5
SCHEMBL28379476 0.73 DRD2 (0.41) HTR2AHTR2CDRD2HTR1A
SCHEMBL28384798 0.73 KDM4E (0.38) HTR2AHTR2CDHFRKDM4EMAPT
SCHEMBL4929162 0.72 GRIA1 (0.55) GRIA1GRIA2GRIA3GRIA4PSMB5
SCHEMBL9919049 0.70 GAA (0.38) GRIA1GRIA2GRIA3GRIA4PSMB5
SCHEMBL25949654 0.68 HRH3 (0.33) GRIA1GRIA2GRIA3GRIA4PSMB5
SCHEMBL12068243 0.68 UHRF1 (0.36) GRIA1GRIA2GRIA3GRIA4KDM4E

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-0656003-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-06-07 EP disclosed
WO-1994004533-A1 CONDENSED INDOLE DERIVATIVES AS 5HT2C AND 5HT2B ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-03-03 WO disclosed