SCHEMBL29172802

SCHEMBL29172802

CC(C)(CCCCCC1CCNCC1)NC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 12/20 0.40
ITGA2B P08514 12/20 0.40
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
NAMPT P43490 1/20 0.39
FAAH O00519 1/20 0.35
SLC6A1 P30531 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRB2 P47870 2/20 0.35
SLC6A12 P48065 2/20 0.35
SLC6A11 P48066 2/20 0.35
SLC6A13 Q9NSD5 2/20 0.35
GABRA1 P14867 1/20 0.35
GABRR1 P24046 1/20 0.35
GABRA4 P48169 1/20 0.35

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
SCHEMBL29172680 1.00 ITGB3 (0.40) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL29172713 0.98 ITGB3 (0.41) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL29172797 0.94 ITGB3 (0.42) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL29172795 0.81 ITGB3 (0.34) ITGB3ITGA2BSLC6A1GABRA5GABRB2
SCHEMBL7550865 0.80 GABRA5 (0.39) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL28644388 0.80 ITGB3 (0.32) ITGB3ITGA2BGNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL28794028 0.79 SLC6A1 (0.47) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL28469067 0.76 SLC6A1 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL28187856 0.76 SLC6A1 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27166506 0.76 NAMPT (0.53) ITGB3ITGA2BGNAI3GNAO1GNAI1

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
CN-117715904-A CDK2 degrading agents and uses thereof 凯麦拉医疗公司 2024-03-15 CN disclosed