SCHEMBL8894887

SCHEMBL8894887

C1=CNN(Cc2ccccc2)C=C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
F2 P00734 1/20 0.38
PLG P00747 1/20 0.38
ELANE P08246 1/20 0.38
CTSG P08311 1/20 0.38
CMA1 P23946 1/20 0.38
CTRC Q99895 1/20 0.38
CYP19A1 P11511 2/20 0.36
GSK3A P49840 3/20 0.35
GSK3B P49841 3/20 0.35
MGLL Q99685 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
DBH P09172 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
SCHEMBL4242843 0.81 GSK3A (0.43) SIGMAR1GSK3AGSK3BMGLLALDH1A1
SCHEMBL29841795 0.77 ALDH1A1 (0.46) SIGMAR1CMA1GSK3AGSK3BALDH1A1
SCHEMBL890051 0.74 GAA (0.44) KMT2ALMNAMAPTGAA
SCHEMBL1249231 0.69 CYP19A1 (0.38) SIGMAR1F2PLGELANECTSG
SCHEMBL9201461 0.67 SIGMAR1 (0.46) SIGMAR1F2PLGELANECTSG
SCHEMBL28718340 0.64
SCHEMBL9572747 0.64
SCHEMBL29079957 0.64
SCHEMBL28795504 0.64 ALDH1A1 (0.39) SIGMAR1F2PLGELANECTSG
SCHEMBL7883589 0.64 SIGMAR1 (0.39) SIGMAR1F2PLGELANECTSG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-121293209-A Chiral hexahydropyridazine Process for the preparation of intermediates 四川大学 2026-01-09 CN disclosed
WO-1997045422-A1 ANTI-NEURODEGENERATIVELY EFFECTIVE 10-AMINOALIPHATYL-DIBENZ[b,f]OXEPINE SALTS NOVARTIS AG (CH) 1997-12-04 WO disclosed
EP-0552386-A1 2-Amino-3 or 6-methoxycyclohexyl amide derivatives WARNER-LAMBERT COMPANY (US) 1993-07-28 EP disclosed
US-5051428-A 2-amino-4 or 5-methoxycyclohexyl amides useful as analgesics WARNER-LAMBERT COMPANY (US) 1991-09-24 US disclosed
EP-0372466-A2 2-Amino-4 or 5-methoxycyclohexyl amides useful as analgesics WARNER-LAMBERT COMPANY (US) 1990-06-13 EP disclosed