SCHEMBL9203754

SCHEMBL9203754

Cc1c(N)cccc1CN(C(=O)O)C1CC2CCC(C1)N2C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CHRM3 P20309 8/20 0.41
CHRM2 P08172 7/20 0.41
CHRM1 P11229 7/20 0.41
ALDH1A1 P00352 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38

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
SCHEMBL9203749 1.00 MEN1 (0.41) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL9200471 0.77 KMT2A (0.49) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL9200469 0.77 KMT2A (0.49) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL9198552 0.73 ALDH1A1 (0.42) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL9198555 0.73 ALDH1A1 (0.42) MEN1KMT2ACHRM3CHRM2CHRM1
SCHEMBL27406157 0.71 ESR1 (0.43) MEN1KMT2AALDH1A1
SCHEMBL9200033 0.70 NOS3 (0.55) MEN1KMT2AALDH1A1
SCHEMBL9196158 0.68 CHRM1 (0.45) CHRM3CHRM2CHRM1ALDH1A1CHRM5
SCHEMBL9196156 0.68 CHRM1 (0.45) CHRM3CHRM2CHRM1ALDH1A1CHRM5
SCHEMBL5929696 0.67 LMNA (0.42) ALDH1A1

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-0382687-B1 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA (IT) 1995-12-27 EP disclosed
US-5106851-A Respiratory system disorders ISTITUTO DE ANGELI S.P.A. (IT) 1992-04-21 US disclosed
EP-0382687-A2 Benzofused-N-containing heterocycle derivatives BOEHRINGER INGELHEIM ITALIA S.p.A. (IT) 1990-08-16 EP disclosed