SCHEMBL9514959

SCHEMBL9514959

CN1C2CCCC1CC(C(N)=O)C2

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 5/20 0.43
CHRM2 P08172 4/20 0.43
CHRM4 P08173 4/20 0.43
CHRM1 P11229 4/20 0.43
MAPK1 P28482 1/20 0.42
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.38
BCHE P06276 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ATM Q13315 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4128527 0.91 LMNA (0.50) CHRM3CHRM2CHRM4CHRM1LMNA
Urea SCHEMBL2447795 0.78 MAPK1 (0.48) CHRM3CHRM2CHRM4CHRM1MAPK1
SCHEMBL31008717 0.76 SMN1; SMN2 (0.36) CHRM1LMNACYP2C9SMN1; SMN2BCHE
SCHEMBL7397644 0.75 ALDH1A1 (0.49) ALDH1A1KMT2ACYP2D6
SCHEMBL7397643 0.75 ALDH1A1 (0.49) ALDH1A1KMT2ACYP2D6
SCHEMBL3438642 0.74
SCHEMBL21145976 0.73 SMN1; SMN2 (0.37) CHRM3CHRM1LMNACYP2C9SMN1; SMN2
SCHEMBL6648506 0.71 LMNA (0.52) CHRM3CHRM2CHRM4CHRM1LMNA
SCHEMBL8947045 0.71 LMNA (0.52) CHRM3CHRM2CHRM4CHRM1LMNA
SCHEMBL11388564 0.71 LMNA (0.52) CHRM3CHRM2CHRM4CHRM1LMNA

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
EP-0422154-B1 THERAPEUTIC USE OF 5-HT3 RECEPTOR ANTAGONISTS SANDOZ AG (AT) 1993-12-01 EP claimed
EP-0339950-A2 Dibenzofurancarboxamides, their use as pharmaceutical agents, a composition containing the same, and a process for the preparation thereof RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1989-11-02 EP disclosed