SCHEMBL8401279

SCHEMBL8401279

NCc1cccc(C2C(CC(=O)O)N(C(N)=O)c3ccccc3C(=O)N2CCc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.41
CACNA1H O95180 1/20 0.41
CACNA1I Q9P0X4 1/20 0.41
RAB9A P51151 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
KMT2A Q03164 1/20 0.37
FFAR1 O14842 2/20 0.36
PARK7 Q99497 3/20 0.34
ALDH1A1 P00352 3/20 0.34
ALDH2 P05091 1/20 0.34
ALDH3A1 P30838 1/20 0.34
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CCKBR P32239 1/20 0.33
GAA P10253 1/20 0.32

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
SCHEMBL8401264 0.92 CACNA1G (0.42) CACNA1GCACNA1HCACNA1IRAB9AMEN1
SCHEMBL8898515 0.75 ALDH1A1 (0.35) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8898192 0.70 CCKBR (0.38) CACNA1GCACNA1HCACNA1IFFAR1ALDH1A1
SCHEMBL8519715 0.69 ALDH1A1 (0.36) MEN1KMT2AALDH1A1KDM4ESMN1; SMN2
SCHEMBL8195620 0.65 ITGB3 (0.49) CACNA1GCACNA1HCACNA1ISMN1; SMN2CCKBR
SCHEMBL21147092 0.59 CASP3 (0.59) RAB9AMEN1NPC1KMT2APARK7
SCHEMBL28326301 0.58 L3MBTL1 (0.58) CACNA1GCACNA1HCACNA1IRAB9AMEN1
Phenyl Propionic Acid SCHEMBL6660445 0.57 KEAP1 (0.68) FFAR1SMN1; SMN2MAPT
SCHEMBL21997414 0.57 CA1 (0.67) RAB9AKMT2APARK7ALDH1A1ALDH2
Benzylamine SCHEMBL3891720 0.57 LOXL2 (0.74) SMN1; SMN2TSHRHSD17B10MAPTPARP1

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
US-5939412-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1999-08-17 US disclosed
US-5693636-A Bicyclic fibrinogen antagonists SMITHKLINE BEECHAM CORPORATION (US) 1997-12-02 US disclosed