SCHEMBL11250871

SCHEMBL11250871

C=CCC1(c2ccccc2)CCCC(=[N+]=[N-])C1=O

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
CYP2C9 P11712 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL512776 0.80 GRIN2D (0.39) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL11552604 0.76 TSHR (0.36) MEN1KMT2ACYP2C9
SCHEMBL25368706 0.76 GRIN2D (0.44) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL435412 0.76 GRIN2D (0.44) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL11248334 0.73 GAA (0.43) GAAMEN1KMT2AALDH1A1POLB
SCHEMBL8673707 0.70 LMNA (0.36) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL8675369 0.70 LMNA (0.36) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL11244880 0.69 LMNA (0.35) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL8678113 0.67 LMNA (0.38) LMNAGAAMEN1KMT2AALDH1A1
SCHEMBL9570551 0.65 SIGMAR1 (0.43) MEN1KMT2AALDH1A1CYP2C9SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4337341-A 4a-Aryl-octahydro-1H-2-pyrindines ELI LILLY AND COMPANY (US) 1982-06-29 US disclosed