SCHEMBL5133995

SCHEMBL5133995

CSc1cc(Br)cc2c1N[C@H]1CCN(C(=O)OC(C)(C)C)CC21

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
USP30 Q70CQ3 4/20 0.40
GPR119 Q8TDV5 6/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
FPR3 P25089 2/20 0.36
FPR2 P25090 2/20 0.36
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
PDE4B Q07343 1/20 0.35
DPP4 P27487 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 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
SCHEMBL1843347 1.00 IDO1 (0.40) IDO1TDO2USP30GPR119KDM4E
SCHEMBL1843090 0.84 IDO1 (0.40) IDO1TDO2USP30GPR119KDM4E
SCHEMBL1843088 0.84 IDO1 (0.40) IDO1TDO2USP30GPR119KDM4E
SCHEMBL1841886 0.84 IDO1 (0.40) IDO1TDO2USP30GPR119KDM4E
SCHEMBL1843411 0.84 GPR119 (0.42) USP30GPR119KDM4EMAPTTHRB
SCHEMBL1840899 0.83 USP30 (0.41) IDO1TDO2USP30GPR119KDM4E
SCHEMBL1839317 0.83 USP30 (0.41) IDO1TDO2USP30GPR119KDM4E
SCHEMBL1839318 0.83 USP30 (0.41) IDO1TDO2USP30GPR119KDM4E
SCHEMBL6220238 0.79 USP30 (0.46) IDO1TDO2USP30GPR119KDM4E
SCHEMBL1841965 0.78 USP30 (0.40) IDO1TDO2USP30GPR119KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581221-A4 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL MYERS SQUIBB CO (US) 2008-11-26 EP disclosed
EP-1581221-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS Bristol-Myers Squibb Company (US) 2005-10-05 EP disclosed
WO-2004056324-A2 SUBSTITUTED TRICYCLIC GAMMA-CARBOLINES AS SEROTONIN RECEPTOR AGONISTS AND ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-07-08 WO disclosed