SCHEMBL4765020

SCHEMBL4765020

CC(C)(C)C(=O)NCCc1ccc(CNc2c(Cl)ccc3c2CCC(C(=O)C(F)(F)F)CN3)cc1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
DRD2 P14416 2/20 0.33
DRD4 P21917 2/20 0.33
F2R P25116 3/20 0.32
PTGES O14684 3/20 0.30
P2RX7 Q99572 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL5755390 0.84 P2RX7 (0.32) P2RX7
SCHEMBL5736358 0.83 ALDH1A1 (0.37) MAPTDRD2
SCHEMBL5767548 0.83 RAB9A (0.33) POLB
SCHEMBL5763645 0.80 ALDH1A1 (0.33) POLBMAPTHPGDP2RX7
SCHEMBL5733066 0.79 P2RX7 (0.33) P2RX7
SCHEMBL5732133 0.78 DDB1 (0.37) DRD2
SCHEMBL4778531 0.78
SCHEMBL5756968 0.76 CRHR1 (0.39) HPGD
SCHEMBL5757418 0.76 KDM4E (0.32) POLBKMT2A
SCHEMBL4775977 0.76 TBK1 (0.38)

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-1924561-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS Eli Lilly & Company (US) 2008-05-28 EP disclosed
WO-2007028083-A2 6-ARYLALKYLAMINO- 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2007-03-08 WO disclosed