SCHEMBL7921863

SCHEMBL7921863

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

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ATM Q13315 2/20 0.41
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALOX5 P09917 7/20 0.41
MAPT P10636 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL7915427 0.87 NPSR1 (0.47) TACR1MEN1KMT2AATMALDH1A1
SCHEMBL7445035 0.87 HRH1 (0.48) TACR1MEN1KMT2AATMALDH1A1
SCHEMBL7924041 0.85 ATM (0.47) TACR1MEN1KMT2AATM
SCHEMBL7436780 0.85 TACR1 (0.53) TACR1MEN1KMT2AATMALDH1A1
SCHEMBL7442593 0.82 MEN1 (0.43) MEN1KMT2AATMALDH1A1
SCHEMBL7436875 0.82 KCNH2 (0.42) MEN1KMT2AATMALDH1A1L3MBTL1
SCHEMBL7921879 0.81 MEN1 (0.41) MEN1KMT2AATMALDH1A1
SCHEMBL7443871 0.80 KCNH2 (0.52) TACR1MEN1KMT2AMAPTTDP1
SCHEMBL7445855 0.80 LMNA (0.49) MEN1KMT2AATMALDH1A1MAPT
SCHEMBL7430852 0.80 LMNA (0.51) TACR1MEN1KMT2AATMALDH1A1

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