SCHEMBL9517429

SCHEMBL9517429

O=C1CCCC2CCCC2N1

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.35
OR51E2 Q9H255 1/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
FKBP5 Q13451 1/20 0.31
SRD5A1 P18405 1/20 0.30

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
SCHEMBL3053407 0.95 ALDH1A1 (0.36) CRBNOR51E2LMNATSHRALDH1A1
SCHEMBL432189 0.93 MAPT (0.35) CRBNOR51E2LMNATSHRALDH1A1
SCHEMBL432190 0.93 MAPT (0.35) CRBNOR51E2LMNATSHRALDH1A1
SCHEMBL17338063 0.91 ALDH1A1 (0.36) CRBNOR51E2LMNATSHRALDH1A1
SCHEMBL6675762 0.91 SRD5A1 (0.33) LMNATSHRALDH1A1PKMSRD5A1
SCHEMBL9359669 0.91 SRD5A1 (0.33) LMNATSHRALDH1A1PKMSRD5A1
SCHEMBL6652266 0.89 KMT2A (0.35) CRBNOR51E2LMNATSHRALDH1A1
SCHEMBL12032976 0.87 CRBN (0.32) CRBNOR51E2
SCHEMBL3046579 0.86 ALDH1A1 (0.36) LMNATSHRALDH1A1PKMSRD5A1
SCHEMBL6638258 0.86 ALDH1A1 (0.36) LMNATSHRALDH1A1PKMSRD5A1

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
EP-0279350-B1 Fused azepinone and azocinone derivatives , process for their preparation, agents containing them and their use, as well as their intermediates during their production HOECHST AG (DE) 1993-12-01 EP disclosed
US-4857520-A Fused azepinone and azocinone derivatives, processes for their preparation, agents containing them and their use, and intermediates in their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-15 US disclosed
EP-0279350-A2 Fused azepinone and azocinone derivatives , process for their preparation, agents containing them and their use, as well as their intermediates during their production HOECHST AKTIENGESELLSCHAFT (DE) 1988-08-24 EP disclosed