SCHEMBL7316408

SCHEMBL7316408

C[C@H](NC(c1ccccc1)c1ccccc1)C(N)=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.50
NPSR1 Q6W5P4 1/20 0.47
ALOX5 P09917 1/20 0.46
KDM1A O60341 1/20 0.45
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.42
EPHX1 P07099 1/20 0.42
ALDH1A1 P00352 3/20 0.41
HPGDS O60760 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CTSD P07339 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BCAT2 O15382 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
SCHEMBL7365794 0.85 ACP3 (0.50) LMNAALOX5KDM1AALDH1A1KMT2A
SCHEMBL5513822 0.85 ACP3 (0.50) LMNAALOX5KDM1AALDH1A1KMT2A
SCHEMBL8766752 0.84 LMNA (0.49) LMNANPSR1CRHBPCRHR2TSHR
SCHEMBL7890911 0.84 LMNA (0.49) LMNANPSR1CRHBPCRHR2TSHR
SCHEMBL9574986 0.84 LMNA (0.49) LMNANPSR1CRHBPCRHR2TSHR
Hydrochloric Acid SCHEMBL5967058 0.83 ACP3 (0.53) LMNAALOX5KDM1AALDH1A1KMT2A
Hydrochloric Acid SCHEMBL5967292 0.83 ACP3 (0.53) LMNAALOX5KDM1AALDH1A1KMT2A
SCHEMBL4679414 0.83 KMT2A (0.58) LMNANPSR1KDM1ACRHBPCRHR2
SCHEMBL4679411 0.83 KMT2A (0.58) LMNANPSR1KDM1ACRHBPCRHR2
SCHEMBL7318693 0.81 LMNA (0.47) LMNANPSR1ALOX5GAATSHR

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed