SCHEMBL4665070

SCHEMBL4665070

Clc1ncccc1CNC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.55
MAOB P27338 1/20 0.55
HTT P42858 4/20 0.49
GLA P06280 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 4/20 0.48
PKM P14618 1/20 0.48
OPRL1 P41146 2/20 0.47
PABPC1 P11940 1/20 0.46
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
LMNA P02545 2/20 0.44
HRH3 Q9Y5N1 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 2/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
SCHEMBL26275394 0.78 KDM4E (0.44) HTTALDH1A1KDM4EPKMOPRL1
SCHEMBL11684887 0.77 HTT (0.64) KDM1AHTTGLANPSR1ALDH1A1
SCHEMBL24093077 0.77 HTT (0.64) KDM1AHTTGLANPSR1ALDH1A1
SCHEMBL11682509 0.77 HTT (0.64) KDM1AHTTGLANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL11684770 0.76 HTT (0.67) KDM1AHTTGLANPSR1ALDH1A1
Hydrochloric Acid SCHEMBL11687432 0.76 HTT (0.67) KDM1AHTTGLANPSR1ALDH1A1
SCHEMBL8265284 0.75 HTT (0.61) KDM1AHTTGLANPSR1ALDH1A1
SCHEMBL31307153 0.74 METAP2 (0.59) HTTNPSR1ALDH1A1KDM4EKMT2A
SCHEMBL19437101 0.74 METAP2 (0.59) HTTNPSR1ALDH1A1KDM4EKMT2A
SCHEMBL18677308 0.74 LMNA (0.41) HTTALDH1A1KDM4EPKMOPRL1

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