SCHEMBL7268798

SCHEMBL7268798

CC(C)C[C@H](N)[C@@H](O)c1nccs1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.36
ALOX12 P18054 2/20 0.35
ALOX15 P16050 1/20 0.35
HSPA5 P11021 1/20 0.34
HSPA2 P54652 1/20 0.34
FFAR2 O15552 1/20 0.34
CNR2 P34972 2/20 0.34
MAPKAPK2 P49137 1/20 0.33
CNR1 P21554 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NOS1 P29475 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GCK P35557 1/20 0.32
AAK1 Q2M2I8 2/20 0.32
CYP3A4 P08684 1/20 0.32
CTSA P10619 1/20 0.32
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7269588 1.00 ADAM17 (0.36) ADAM17ALOX12ALOX15HSPA5HSPA2
SCHEMBL7270075 1.00 ADAM17 (0.36) ADAM17ALOX12ALOX15HSPA5HSPA2
SCHEMBL7269596 1.00 ADAM17 (0.36) ADAM17ALOX12ALOX15HSPA5HSPA2
SCHEMBL7269591 1.00 ADAM17 (0.36) ADAM17ALOX12ALOX15HSPA5HSPA2
SCHEMBL15676387 0.83 ADAM17 (0.38) ADAM17ALOX12ALOX15HSPA5ALDH1A1
SCHEMBL15676401 0.80 ALDH1A1 (0.38) ADAM17ALOX12ALOX15MAPKAPK2ALDH1A1
SCHEMBL15676022 0.80 ALDH1A1 (0.38) ADAM17ALOX12ALOX15MAPKAPK2ALDH1A1
SCHEMBL15676503 0.80 ALDH1A1 (0.38) ADAM17ALOX12ALOX15MAPKAPK2ALDH1A1
SCHEMBL14151615 0.79 AAK1 (0.38) ALOX12ALOX15HSPA5HSPA2FFAR2
SCHEMBL14152740 0.79 AAK1 (0.38) ALOX12ALOX15HSPA5HSPA2FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed
US-5104869-A Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1992-04-14 US disclosed
EP-0427939-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1991-05-22 EP disclosed
EP-0376012-A2 Renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed
EP-0376040-A2 N-phosphinyl di-and tripeptides as renin inhibitors AMERICAN CYANAMID COMPANY (US) 1990-07-04 EP disclosed