SCHEMBL6797899

SCHEMBL6797899

CC(C)(C)C(O)(CC(=O)O)NC(=O)c1ccc(N2CCN(c3ncccn3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.54
NPC1 O15118 1/20 0.54
MAPT P10636 2/20 0.44
LMNA P02545 2/20 0.44
KDM4E B2RXH2 3/20 0.43
HTT P42858 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
KMT2A Q03164 1/20 0.41
SLC6A7 Q99884 5/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CHRNA7 P36544 1/20 0.40
CHRNA10 Q9GZZ6 1/20 0.40
CHRNA9 Q9UGM1 1/20 0.40

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
SCHEMBL6800344 0.84 DRD2 (0.43) RAB9ANPC1MAPTALDH1A1SMN1; SMN2
SCHEMBL6797887 0.78 RAB9A (0.54) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL6375221 0.76 RAB9A (0.67) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL7655169 0.75 KDM4E (0.67) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL6799312 0.73 RAB9A (0.55) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL6798850 0.73 RAB9A (0.74) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL7651659 0.72 RAB9A (0.54) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL381766 0.71 DRD2 (0.42) CHRNA7CHRNA10CHRNA9
SCHEMBL6375663 0.71 RAB9A (0.63) RAB9ANPC1MAPTLMNAKDM4E
SCHEMBL6799038 0.70 NPC1 (0.55) RAB9ANPC1MAPTLMNAKDM4E

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-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US claimed
US-6750219-B1 HAVING INTEGRIN ALPHA V BETA 3 ANTAGONISTIC ACTIVITY, GP IIB/IIIA ANTAGONISTIC ACTIVITY, AND/OR HUMAN PLATELET AGGREGATION INHIBITORY ACTIVITY AND ALSO HAVING EXCELLENT WATER SOLUBILITY MEIJI SEIKA KAISHA, LTD. (JP) 2004-06-15 US disclosed