SCHEMBL22658644

SCHEMBL22658644

CC1=C(C(=O)O)C(c2cccc([N+](=O)[O-])c2)C(C(=O)O)=C(C)N1CC(C)(C)N(C)CCC(c1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.53
ADRA1A P35348 3/20 0.53
SLC6A3 Q01959 3/20 0.53
MTOR P42345 2/20 0.53
RAB9A P51151 2/20 0.53
MLNR O43193 2/20 0.53
NR1I2 O75469 2/20 0.53
CNR1 P21554 1/20 0.53
HRH1 P35367 1/20 0.53
OPRK1 P41145 1/20 0.53
PDE3A Q14432 1/20 0.53
CYP1A2 P05177 4/20 0.42
CYP3A4 P08684 4/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP2C19 P33261 4/20 0.42
LMNA P02545 4/20 0.42
TSHR P16473 3/20 0.42
MAPT P10636 3/20 0.42
NFKB1 P19838 2/20 0.42

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
Hydrochloric Acid SCHEMBL4888829 0.87 ADORA3 (0.59) ADORA3ADRA1ASLC6A3MTORRAB9A
SCHEMBL10627712 0.83 ADORA3 (0.67) ADORA3ADRA1ASLC6A3MTORRAB9A
SCHEMBL5396705 0.83 CYP1A2 (0.48) ADORA3ADRA1ASLC6A3MTORRAB9A
SCHEMBL5396699 0.83 CYP1A2 (0.48) ADORA3ADRA1ASLC6A3MTORRAB9A
SCHEMBL15397445 0.82 ADORA3 (0.53) ADORA3ADRA1ASLC6A3MTORRAB9A
SCHEMBL3787266 0.78 ADORA3 (0.68) ADORA3ADRA1ASLC6A3MTORRAB9A
Hydrochloric Acid SCHEMBL4888822 0.77 ADORA3 (0.72) ADORA3ADRA1ASLC6A3MTORRAB9A
SCHEMBL10783961 0.76 ADORA3 (0.50) ADORA3ADRA1ASLC6A3MTORRAB9A
SCHEMBL3195324 0.75 ADORA3 (0.48) ADORA3ADRA1ASLC6A3MTORRAB9A
SCHEMBL30873727 0.75 CYP1A2 (0.57) ADORA3CYP1A2CYP3A4CYP2D6CYP2C9

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-3965759-A1 A TABLET FORMULATION COMPRISING LERCANIDIPINE AND ENALAPRIL Sanovel Ilac Sanayi Ve Ticaret Anonim Sirketi (TR) 2022-03-16 EP disclosed
WO-2020231367-A1 A TABLET FORMULATION COMPRISING LERCANIDIPINE AND ENALAPRIL SANOVEL ILAC SANAYI VE TICARET ANONIM SIRKETI (TR) 2020-11-19 WO disclosed