SCHEMBL28965503

SCHEMBL28965503

O=C(OCC1CCNCC1)N1CCCCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 3/20 0.58
ITGA2B P08514 3/20 0.58
F2R P25116 3/20 0.58
KDM1A O60341 9/20 0.46
MAOA P21397 3/20 0.46
TPSAB1 Q15661 2/20 0.44
TPSD1 Q9BZJ3 2/20 0.44
TPSG1 Q9NRR2 2/20 0.44
CA2 P00918 1/20 0.43
CHKA P35790 1/20 0.43
ALDH1A1 P00352 1/20 0.41
THRB P10828 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 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
SCHEMBL27152216 0.90 ITGB3 (0.51) ITGB3ITGA2BF2RKDM1AMAOA
SCHEMBL20601116 0.88 ALDH1A1 (0.46) ITGB3ITGA2BF2RTPSAB1TPSD1
SCHEMBL4678334 0.87 ITGB3 (0.49) ITGB3ITGA2BF2RKDM1AMAOA
SCHEMBL20298350 0.86 ALDH1A1 (0.49) ITGB3ITGA2BF2RALDH1A1THRB
SCHEMBL27797265 0.86 ALDH1A1 (0.45) ITGB3ITGA2BF2RALDH1A1THRB
Hydrochloric Acid SCHEMBL4685471 0.85 ITGB3 (0.48) ITGB3ITGA2BF2RKDM1AMAOA
SCHEMBL3328785 0.84 ITGB3 (0.46) ITGB3ITGA2BF2RKDM1AMAOA
Hydrochloric Acid SCHEMBL6150606 0.83 ITGB3 (0.46) ITGB3ITGA2BF2RKDM1AMAOA
SCHEMBL29233709 0.82 ALDH1A1 (0.43) ITGB3ITGA2BF2RTPSAB1TPSD1
Hydrochloric Acid SCHEMBL6152281 0.81 TPSAB1 (0.48) ITGB3ITGA2BF2RTPSAB1TPSD1

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-115605267-A Selective modulators of mutant LRRK2 proteolysis and related methods of use 阿维纳斯企业公司(US) 2023-01-13 CN disclosed