SCHEMBL11060622

SCHEMBL11060622

COc1ccc(C[C@H](N)C(=O)N(C(=O)OCc2ccccc2)[C@H]2[C@@H](O)[C@H](n3cnc4c(NC(=O)c5ccccc5)ncnc43)O[C@@H]2C(=O)NCC(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 7/20 0.45
▸ ADORA2B P29275 7/20 0.45
▸ ADORA1 P30542 1/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ ANPEP P15144 1/20 0.43
▸ NPEPPS P55786 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HIF1A Q16665 1/20 0.43

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
SCHEMBL10886574 0.93 ADORA2A (0.49) ADORA2AADORA2BSMN1; SMN2ANPEPNPEPPS
SCHEMBL10885822 0.93 ADORA2A (0.46) ADORA2AADORA2BSMN1; SMN2ANPEPNPEPPS
SCHEMBL10896379 0.91 AHCY (0.54) SMN1; SMN2ANPEPNPEPPSLMNATP53
SCHEMBL10883897 0.88 ADORA2A (0.48) ADORA2AADORA2BNPEPPS
SCHEMBL10885276 0.88 ADORA2A (0.52) ADORA2AADORA2BADORA1NPEPPS
SCHEMBL10887386 0.88 ADORA2A (0.52) ADORA2AADORA2BADORA1NPEPPS
SCHEMBL10885962 0.88 ADORA2A (0.46) ADORA2AADORA2BSMN1; SMN2ANPEPNPEPPS
SCHEMBL10884643 0.82 AHCY (0.59) SMN1; SMN2ANPEPNPEPPSLMNATP53
SCHEMBL10885229 0.82 ADORA2A (0.52) ADORA2AADORA2BADORA1
SCHEMBL11060614 0.81 ADORA2A (0.46) ADORA2AADORA2BSMN1; SMN2ANPEPNPEPPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4479942-A Tetrahydrofurnancarboxylic acid derivatives, processes for preparation thereof and pharmaceutical compositions thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-10-30 — — US disclosed
Send feedback