SCHEMBL31437077

SCHEMBL31437077

CC(C)(C)OC(=O)N1CCNCC1c1ccc([N+](=O)[O-])cc1F

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
MAPT P10636 3/20 0.43
LMNA P02545 3/20 0.43
GHSR Q92847 1/20 0.38
THRB P10828 1/20 0.38
TACR1 P25103 8/20 0.38
KMT2A Q03164 1/20 0.37
DRD2 P14416 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
NR3C2 P08235 1/20 0.36

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
SCHEMBL14856667 0.89 MAPT (0.42) ALDH1A1MAPTLMNATHRBKMT2A
SCHEMBL31257816 0.88 ALDH1A1 (0.42) ALDH1A1MAPTLMNAGHSRKMT2A
SCHEMBL5188507 0.84 MAPT (0.38) ALDH1A1MAPTLMNATACR1KMT2A
SCHEMBL30165832 0.84 ALDH1A1 (0.50) ALDH1A1MAPTLMNA
SCHEMBL30910354 0.80 ALDH1A1 (0.39) ALDH1A1MAPTLMNAGHSRTACR1
SCHEMBL30502301 0.80 HTR2C (0.44) LMNATACR1
SCHEMBL31437059 0.80 PARP1 (0.38) ALDH1A1MAPTLMNATACR1KMT2A
SCHEMBL8147630 0.80 MAPT (0.43) ALDH1A1MAPTLMNA
SCHEMBL28052467 0.79 TACR1 (0.40) LMNATACR1
SCHEMBL6630997 0.78 HTR2C (0.39) TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119630644-A Bifunctional compounds containing pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 CN disclosed
CN-119630651-A Bifunctional compounds containing substituted pyrimidine derivatives for degradation of cyclin-dependent kinase 2 via the ubiquitin proteasome pathway 霖康疗法公司 2025-03-14 CN disclosed