SCHEMBL30701374

SCHEMBL30701374

NC(=O)CCCCCCCCCCC1CCNC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.47
GABRA5 P31644 2/20 0.47
GABRB2 P47870 2/20 0.47
SLC6A12 P48065 2/20 0.47
SLC6A11 P48066 2/20 0.47
SLC6A13 Q9NSD5 2/20 0.47
GABRA1 P14867 1/20 0.47
GABRR1 P24046 1/20 0.47
GABRA4 P48169 1/20 0.47
NAAA Q02083 2/20 0.46
KMT2A Q03164 3/20 0.41
TARDBP Q13148 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGA2B P08514 3/20 0.41
GNAI3 P08754 2/20 0.39
GNAO1 P09471 2/20 0.39
GNAI1 P63096 2/20 0.39
FAAH O00519 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 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
SCHEMBL16395705 1.00 SLC6A1 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL16395706 1.00 SLC6A1 (0.47) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL2435720 0.93 SLC6A1 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL30701382 0.89 ITGB3 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL16395707 0.89 ITGB3 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL16395704 0.89 ITGB3 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27922990 0.87 SLC6A1 (0.52) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL28326688 0.87 SLC6A1 (0.52) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL11844776 0.86 SLC6A1 (0.56) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
Hydrochloric Acid SCHEMBL17560473 0.85 SLC6A1 (0.50) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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-117222414-A Compounds for activating constant natural killer T-cells and methods for eliminating inflammatory senescent cells 脱落性治疗公司 2023-12-12 CN disclosed