SCHEMBL4632355

SCHEMBL4632355

CN(Cc1ccc(CN)cc1)CC(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PYCR1 P32322 4/20 0.41
▸ LOXL2 Q9Y4K0 4/20 0.40
▸ CARM1 Q86X55 1/20 0.40
▸ PRMT6 Q96LA8 1/20 0.40
▸ PRMT8 Q9NR22 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.38
▸ KEAP1 Q14145 1/20 0.37
▸ NFE2L2 Q16236 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TPSAB1 Q15661 2/20 0.36
▸ ABAT P80404 1/20 0.35
▸ MAOB P27338 1/20 0.34
▸ PSIP1 O75475 1/20 0.33
▸ TAAR1 Q96RJ0 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
SCHEMBL12749574 0.82 PYCR1 (0.52) PYCR1HRH3TAAR1
SCHEMBL1009789 0.81 PYCR1 (0.41) PYCR1CARM1PRMT6PRMT8HRH3
SCHEMBL21962259 0.81 PYCR1 (0.53) PYCR1KDM4EALDH1A1MAOBTAAR1
SCHEMBL1472497 0.81 NR1I2 (0.42) PYCR1HRH3KDM4EALDH1A1SMN1; SMN2
SCHEMBL23032284 0.80 ALDH1A1 (0.52) PYCR1CARM1PRMT6PRMT8KDM4E
Hydrochloric Acid SCHEMBL1472490 0.79 PYCR1 (0.40) PYCR1HRH3KDM4EALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL25237515 0.78 ALDH1A1 (0.52) PYCR1CARM1PRMT6PRMT8KDM4E
SCHEMBL22013587 0.78 CA2 (0.50) KDM4ESMN1; SMN2
SCHEMBL1009445 0.77 PYCR1 (0.38) PYCR1CARM1PRMT6PRMT8HRH3
SCHEMBL17540309 0.77 PYCR1 (0.41) PYCR1HRH3ALDH1A1

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
Send feedback