SCHEMBL14591091

SCHEMBL14591091

CC(=O)CC1CCCN(c2nc(-c3ccccc3)nc3[nH]c(C)c(C)c23)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 9/20 0.46
▸ ADORA2A P29274 8/20 0.46
▸ HPGD P15428 3/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ GBA1 P04062 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ PDE4B Q07343 2/20 0.37
▸ POLB P06746 1/20 0.37

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
SCHEMBL14590947 0.84 ADORA1 (0.48) ADORA1ADORA2AALDH1A1TSHR
SCHEMBL14590949 0.84 ADORA1 (0.48) ADORA1ADORA2AALDH1A1TSHR
SCHEMBL4550705 0.84 ADORA1 (0.48) ADORA1ADORA2AALDH1A1TSHR
SCHEMBL4550706 0.78 ADORA1 (0.51) ADORA1ADORA2AHPGDALDH1A1KDM4E
SCHEMBL4259479 0.66 ADORA1 (0.77) ADORA1ADORA2AALDH1A1KDM4ETSHR
SCHEMBL21664313 0.66 GBA1 (0.57) HSD17B10GBA1MAPTTSHR
SCHEMBL15426758 0.66 ADORA1 (0.77) ADORA1ADORA2AHPGDSMN1; SMN2
SCHEMBL11184213 0.65 GBA1 (0.64) ALDH1A1HSD17B10GBA1MAPTTP53
SCHEMBL13649848 0.65 ADORA1 (0.60) ADORA1ADORA2AALDH1A1SMN1; SMN2TSHR
SCHEMBL8353560 0.64 ADORA1 (0.66) ADORA1ADORA2AHPGDALDH1A1KDM4E

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-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 — — US disclosed
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