SCHEMBL7921879

SCHEMBL7921879

CC(C)c1ccc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c(=O)c(NCCN(C)C)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
ATM Q13315 2/20 0.41
CYP3A4 P08684 2/20 0.39
KCNH2 Q12809 2/20 0.39
USP2 O75604 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPN P05981 1/20 0.39
CHRM2 P08172 1/20 0.39
ADRA2A P08913 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
CHRM1 P11229 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
CNR1 P21554 1/20 0.39
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
SLC6A2 P23975 1/20 0.39

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
SCHEMBL7448375 0.91 LMNA (0.47) MEN1KMT2AATMKCNH2CHRM2
SCHEMBL7921443 0.88 ATM (0.45) MEN1KMT2AATMCYP3A4KCNH2
Hydrochloric Acid SCHEMBL7921978 0.87 MEN1 (0.44) MEN1KMT2AATMCYP3A4KCNH2
SCHEMBL7436136 0.86 LMNA (0.46) MEN1KMT2AATMKCNH2CHRM2
SCHEMBL7442593 0.82 MEN1 (0.43) MEN1KMT2AATMCYP3A4KCNH2
SCHEMBL7446880 0.82 LMNA (0.46) MEN1KMT2AATMKCNH2CHRM2
SCHEMBL7921863 0.81 TACR1 (0.41) MEN1KMT2AATMALDH1A1
SCHEMBL195024 0.80 LMNA (0.48) MEN1KMT2AATMKCNH2CHRM2
SCHEMBL7444990 0.80 LMNA (0.48) MEN1KMT2AATMCYP3A4KCNH2
SCHEMBL7442393 0.80 LMNA (0.48) MEN1KMT2AATMKCNH2CHRM2

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-6221868-B1 Remedies/preventives for frequent urination/urinary incontinence and tropone derivatives NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2001-04-24 US disclosed