SCHEMBL10758908

SCHEMBL10758908

CC1(C)OCC(CNc2ccc(CCO)cc2)O1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.40
NAMPT P43490 3/20 0.40
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
SPHK1 Q9NYA1 1/20 0.33
P2RX3 P56373 4/20 0.33
BUB1 O43683 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
ALOX5 P09917 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
MAPK1 P28482 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
SCHEMBL10759878 1.00 CA2 (0.40) CA2NAMPTTMEM97SIGMAR1SPHK1
SCHEMBL10758894 1.00 CA2 (0.40) CA2NAMPTTMEM97SIGMAR1SPHK1
SCHEMBL10757112 0.87 TMEM97 (0.36) CA2NAMPTTMEM97SIGMAR1P2RX3
SCHEMBL10754804 0.87 TMEM97 (0.36) CA2NAMPTTMEM97SIGMAR1P2RX3
SCHEMBL10755417 0.85 TMEM97 (0.34) CA2NAMPTTMEM97SIGMAR1P2RX3
SCHEMBL10753422 0.82 SMN1; SMN2 (0.45) CA2NAMPTTMEM97SIGMAR1KDM4E
SCHEMBL10760974 0.82 SMN1; SMN2 (0.45) CA2NAMPTTMEM97SIGMAR1KDM4E
SCHEMBL10753411 0.82 SMN1; SMN2 (0.45) CA2NAMPTTMEM97SIGMAR1KDM4E
SCHEMBL10758430 0.80 SMN1; SMN2 (0.46) CA2NAMPTTMEM97SIGMAR1ALDH1A1
SCHEMBL10759549 0.78 CA2 (0.40) CA2NAMPTTMEM97SIGMAR1P2RX3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4672071-A Antihypertensive dihydropyridine compositions, optical isomers and intermediates SYNTEX (U.S.A.) INC. (US) 1987-06-09 US disclosed
EP-0191448-A2 Antihypertensive dihydropyridine derivatives SYNTEX (U.S.A.) INC. (US) 1986-08-20 EP disclosed
US-4595690-A Hypotensive agents SYNTEX (U.S.A.) INC. (US) 1986-06-17 US disclosed