SCHEMBL8529863

SCHEMBL8529863

Cc1cc(NC(=O)N2CCc3cc(N(C)C)ccc32)c2ccccc2n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 4/20 0.56
USP2 O75604 1/20 0.52
LMNA P02545 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
MAPT P10636 3/20 0.48
NFKB1 P19838 3/20 0.48
HTR2B P41595 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
HTT P42858 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
GALR3 O60755 1/20 0.45
IGF1R P08069 1/20 0.44
ALDH1A1 P00352 2/20 0.43
HTR2A P28223 2/20 0.42

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
SCHEMBL7411485 0.83 HTR2B (0.53) HTR2CUSP2LMNANPSR1MAPT
SCHEMBL8526774 0.81 HTR2B (0.72) HTR2CUSP2LMNANPSR1MAPT
SCHEMBL7420874 0.79 MAPT (0.59) HTR2CUSP2LMNANPSR1MAPT
SCHEMBL9049984 0.79 MAPT (0.49) HTR2CUSP2LMNANPSR1MAPT
SCHEMBL7474827 0.75 HTR2C (0.58) HTR2CUSP2LMNANPSR1MAPT
SCHEMBL9051003 0.75 HTT (0.46) HTR2CUSP2LMNANPSR1MAPT
SCHEMBL8529224 0.72 HTR2C (1.00) HTR2CHTR2BHTR2A
SCHEMBL5801737 0.72 IGF1R (0.71) HTR2CMAPTHTR2BCYP1A2CYP3A4
SCHEMBL6591375 0.70 S1PR1 (0.63) HTR2CMAPTHTR2BCYP1A2CYP3A4
SCHEMBL8529867 0.70 HTR2C (0.48) HTR2CLMNANPSR1MAPTNFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP claimed
EP-0707581-A1 INDOLINE DERIVATIVES AS 5HT 2C? ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1996-04-24 EP claimed
WO-1995001976-A1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-01-19 WO claimed
US-5834494-A SEROTONIN 5HT2B/2C RECEPTOR ANTAGONISTS; CNS NERVOUS SYSTEM AND PSYCHOLOGICAL DISORDERS; IRRITABLE BOWEL SYNDROME SMITHKLINE BEECHAM P.L.C. (GB) 1998-11-10 US disclosed
EP-0707581-B1 INDOLINE DERIVATIVES AS 5HT2C ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1997-02-26 EP disclosed