SCHEMBL28332971

SCHEMBL28332971

CCC[C@@]1(C(=O)O)C(c2cccnc2)CCN1C(=O)C(=O)C(C)(C)CC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 7/20 0.41
MTOR P42345 1/20 0.41
FKBP4 Q02790 1/20 0.41
FKBP5 Q13451 1/20 0.41
RIPK1 Q13546 3/20 0.37
KDM4E B2RXH2 2/20 0.35
BLM P54132 1/20 0.35
ALOX15 P16050 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPEPPS P55786 1/20 0.34

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
SCHEMBL7739218 0.77 ALDH1A1 (0.41) FKBP1AKDM4EMEN1ALDH1A1HPGD
SCHEMBL7761516 0.74 FKBP1A (0.40) FKBP1ARIPK1
SCHEMBL8485753 0.73 PSEN1 (0.35) FKBP1ARIPK1
SCHEMBL8199549 0.72 FKBP1A (0.40) FKBP1AMTORFKBP4FKBP5MEN1
SCHEMBL6049184 0.70 RIPK1 (0.40) FKBP1ARIPK1
SCHEMBL7764589 0.70 DRD2 (0.36) FKBP1ARIPK1
SCHEMBL8194304 0.70 FKBP1A (0.54) FKBP1AMTORFKBP4FKBP5
SCHEMBL5700697 0.69 FKBP1A (0.33) FKBP1ARIPK1
SCHEMBL7507551 0.68 RAB9A (0.40) KDM4EALDH1A1HPGD
SCHEMBL7246120 0.68 FKBP1A (0.51) FKBP1AMTORFKBP4FKBP5RIPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110384854-A A kind of medicinal balloon and preparation method thereof that drug metabolism is controllable 上海心玮医疗科技有限公司 2019-10-29 CN claimed
CN-110384854-B Drug balloon with controllable drug metabolism and preparation method thereof 上海心玮医疗科技有限公司 2020-12-01 CN disclosed
CN-110384854-A A kind of medicinal balloon and preparation method thereof that drug metabolism is controllable 上海心玮医疗科技有限公司 2019-10-29 CN disclosed