SCHEMBL7317844

SCHEMBL7317844

CSCC[C@H](NCC(c1ccccc1)c1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.43
TSHR P16473 1/20 0.43
ANPEP P15144 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
FNTA P49354 2/20 0.42
FNTB P49356 2/20 0.42
PGGT1B P53609 1/20 0.42
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CRHBP P24387 1/20 0.41
KMT2A Q03164 1/20 0.41
CRHR2 Q13324 1/20 0.41
LMNA P02545 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL7305459 0.90 MTNR1A (0.48) GAATSHRANPEPFNTAFNTB
SCHEMBL7265651 0.81 ANPEP (0.55) GAATSHRANPEP
SCHEMBL7303559 0.81 GAA (0.44) GAATSHRANPEPCA12CA9
SCHEMBL7313416 0.80 MAPT (0.44) GAATSHRANPEP
SCHEMBL7310003 0.79 MMP1 (0.39) ANPEPCA12CA9FNTAFNTB
SCHEMBL7313618 0.79 CA1 (0.47) GAAANPEPFNTAFNTB
SCHEMBL8083546 0.78 ERAP2 (0.45) MTNR1AMTNR1BALDH1A1LMNA
SCHEMBL10764115 0.77 GGT1 (0.52) ANPEPFNTAFNTBPGGT1BKMT2A
SCHEMBL7305458 0.76 CTSK (0.46) TSHRFNTAFNTBPGGT1BMEN1
Hydrochloric Acid SCHEMBL11094927 0.76 GGT1 (0.51) ANPEPFNTAFNTBPGGT1BMEN1

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