SCHEMBL6643341

SCHEMBL6643341

CC(=Cc1c2n(c3ccc(Br)cc13)CCC2)[N+](=O)[O-]

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.36
MAPK1 P28482 2/20 0.35
GAA P10253 2/20 0.35
FBP1 P09467 1/20 0.33
ABL1 P00519 1/20 0.33
EGFR P00533 1/20 0.33
ABL2 P42684 1/20 0.33
TUBB4A P04350 1/20 0.33
TUBB P07437 1/20 0.33
TUBA3C P0DPH7 1/20 0.33
TUBA1B P68363 1/20 0.33
TUBA4A P68366 1/20 0.33
TUBB4B P68371 1/20 0.33
TUBB3 Q13509 1/20 0.33
TUBB2A Q13885 1/20 0.33
TUBB8 Q3ZCM7 1/20 0.33
TUBA3E Q6PEY2 1/20 0.33
TUBA1A Q71U36 1/20 0.33
TUBA1C Q9BQE3 1/20 0.33
TUBB6 Q9BUF5 1/20 0.33

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
SCHEMBL6643338 1.00 BAZ2B (0.36) BAZ2BMAPK1GAAFBP1ABL1
SCHEMBL6644322 0.87 KDM4E (0.39) MAPK1GAAFBP1ABL1EGFR
SCHEMBL6644319 0.87 KDM4E (0.39) MAPK1GAAFBP1ABL1EGFR
SCHEMBL6641840 0.86 MTNR1A (0.37) BAZ2BMAPK1GAAFBP1ABL1
SCHEMBL6641843 0.86 MTNR1A (0.37) BAZ2BMAPK1GAAFBP1ABL1
SCHEMBL6643618 0.84 HTR6 (0.44) MAPK1GAAKMT2AALDH1A1HTR2C
SCHEMBL6643619 0.84 HTR6 (0.44) MAPK1GAAKMT2AALDH1A1HTR2C
SCHEMBL6641924 0.84 GAA (0.34) MAPK1GAAFBP1ABL1EGFR
SCHEMBL6641928 0.84 GAA (0.34) MAPK1GAAFBP1ABL1EGFR
SCHEMBL27483846 0.83 MAPK1 (0.33) MAPK1GAAMEN1KMT2APKM

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
CN-1165537-C Pyrroloindoles, pyridoindoles and aza * -indoles as 5-HT 2C agonists О 2004-09-08 CN disclosed
EP-1109813-B1 PYRROLOINDOLES, PYRIDOINDOLES AND AZEPINOINDOLES AS 5-HT2C AGONISTS VERNALIS RES LTD (GB) 2004-08-11 EP disclosed
US-6433175-B1 ANTISEROTONINE AGENTS VERNALIS RESEARCH LIMITED (GB) 2002-08-13 US disclosed
CN-1325399-A Pyrroloindoles, pyridoindoles and azaindoles as 5-HT 2C agonists CEREBRUS RES LTD (GB) 2001-12-05 CN disclosed