SCHEMBL6534522

SCHEMBL6534522

COCCOC(=O)C1=C(C)N(CC=Cc2ccccc2)C(C)=C(C(=O)O)C1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1C Q13936 8/20 0.69
MEN1 O00255 4/20 0.69
KMT2A Q03164 4/20 0.69
CACNA1B Q00975 3/20 0.69
HTT P42858 2/20 0.69
ADORA3 P0DMS8 2/20 0.69
MLNR O43193 1/20 0.69
NR1I2 O75469 1/20 0.69
CACNA1H O95180 1/20 0.69
NR3C1 P04150 1/20 0.69
TBXA2R P21731 1/20 0.69
PDE4D Q08499 1/20 0.69
SLC29A1 Q99808 1/20 0.69
CYP1A2 P05177 3/20 0.56
CYP3A4 P08684 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
LMNA P02545 3/20 0.56
MAPT P10636 3/20 0.56
CYP2D6 P10635 2/20 0.56

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
SCHEMBL12727513 0.82 MEN1 (0.66) CACNA1CMEN1KMT2ACACNA1BHTT
Cilnidipine SCHEMBL3334757 0.82 CACNA1C (1.00) CACNA1CMEN1KMT2ACACNA1BHTT
Cilnidipine SCHEMBL30209784 0.82 CACNA1C (1.00) CACNA1CMEN1KMT2ACACNA1BHTT
Cilnidipine SCHEMBL25550 0.82 CACNA1C (1.00) CACNA1CMEN1KMT2ACACNA1BHTT
Cilnidipine SCHEMBL29367885 0.82 CACNA1C (1.00) CACNA1CMEN1KMT2ACACNA1BHTT
Cilnidipine SCHEMBL25551 0.82 CACNA1C (1.00) CACNA1CMEN1KMT2ACACNA1BHTT
Cilnidipine SCHEMBL31398437 0.82 CACNA1C (1.00) CACNA1CMEN1KMT2ACACNA1BHTT
Cilnidipine SCHEMBL29248832 0.81 CACNA1C (0.98) CACNA1CMEN1KMT2ACACNA1BHTT
Cilnidipine SCHEMBL28356318 0.81 CACNA1C (0.98) CACNA1CMEN1KMT2ACACNA1BHTT
SCHEMBL7300126 0.81 CACNA1B (0.74) CACNA1CMEN1KMT2ACACNA1BHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2004250347-A AGENT FOR TREATING AND/OR PREVENTING DISEASE BASED ON RETINAL ISCHEMIA AJINOMOTO CO INC 2004-09-09 JP disclosed