SCHEMBL7921904

SCHEMBL7921904

CCCCOc1cc(C(C)C)ccc(CN2CCC(Cc3ccccc3)CC2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
POLB P06746 1/20 0.48
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR1A P08908 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
CCR3 P51677 1/20 0.44
ATM Q13315 3/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7924082 0.95 MEN1 (0.48) MEN1KMT2APOLBKDM4EHTR1A
SCHEMBL7927349 0.91 MEN1 (0.50) MEN1KMT2APOLBKDM4EHTR1A
SCHEMBL7924050 0.89 MEN1 (0.50) MEN1KMT2APOLBHTR1ASIGMAR1
SCHEMBL7915262 0.88 MEN1 (0.52) MEN1KMT2APOLBKDM4ESIGMAR1
SCHEMBL7927378 0.87 MEN1 (0.60) MEN1KMT2APOLBCCR3
SCHEMBL7927354 0.83 KCNH2 (0.49) MEN1KMT2AKCNH2CCR3ALDH1A1
SCHEMBL7923139 0.83 MEN1 (0.53) MEN1KMT2APOLBKDM4EHTR1A
SCHEMBL7921529 0.82 LMNA (0.55) MEN1KMT2AALDH1A1
SCHEMBL7924032 0.81 MEN1 (0.51) MEN1KMT2APOLBKDM4EHTR1A
SCHEMBL7923414 0.79 MEN1 (0.54) MEN1KMT2AKDM4EALDH1A1

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