SCHEMBL28835006

SCHEMBL28835006

NCC1(CCC(N)N)CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP1A2 P05177 1/20 0.42
TSHR P16473 1/20 0.42
BLM P54132 1/20 0.42
CACNA2D1 P54289 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL5827901 0.75 USP2 (0.48) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL5827755 0.75 USP2 (0.48) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL670620 0.74 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL671851 0.74 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL34979 0.74 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL4048080 0.74 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL980620 0.74 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL17583500 0.74 USP2 (0.56) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL13849271 0.73 USP2 (0.33) USP2ALDH1A1LMNACYP1A2TSHR
SCHEMBL76375 0.72 USP2 (0.44) USP2ALDH1A1LMNACYP1A2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028537-B Preparation method of aminopropyl alicyclic secondary amine 万华化学集团股份有限公司 2023-08-11 CN claimed
CN-115028537-A Preparation method of aminopropyl alicyclic secondary amine 万华化学集团股份有限公司 2022-09-09 CN claimed
CN-115028537-B Preparation method of aminopropyl alicyclic secondary amine 万华化学集团股份有限公司 2023-08-11 CN disclosed
CN-115028537-A Preparation method of aminopropyl alicyclic secondary amine 万华化学集团股份有限公司 2022-09-09 CN disclosed