SCHEMBL7921833

SCHEMBL7921833

CC(C)c1ccc(CN2CCN(C(c3ccccc3[N+](=O)[O-])c3ccccc3[N+](=O)[O-])CC2)c(=O)c(NCCO)c1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.38
ALDH1A1 P00352 8/20 0.37
LMNA P02545 5/20 0.37
KDM4E B2RXH2 3/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPT P10636 4/20 0.37
POLB P06746 1/20 0.37
ACHE P22303 1/20 0.35
TSHR P16473 1/20 0.35
CCR5 P51681 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
KCNH2 Q12809 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL7924056 0.85 DRD2 (0.43) TACR1ALDH1A1LMNAKDM4EMAPT
SCHEMBL7921443 0.85 ATM (0.45) TACR1ALDH1A1LMNATSHRMEN1
Hydrochloric Acid SCHEMBL7921978 0.84 MEN1 (0.44) TACR1ALDH1A1LMNATSHRMEN1
SCHEMBL195024 0.80 LMNA (0.48) ALDH1A1LMNAMAPTPOLBACHE
SCHEMBL7915568 0.80 CACNA2D1 (0.42) LMNAMAPTPOLBMEN1KMT2A
Hydrochloric Acid SCHEMBL7921655 0.79 LMNA (0.48) TACR1ALDH1A1LMNAMAPTPOLB
SCHEMBL7921250 0.79 CACNA1B (0.42) TACR1ALDH1A1LMNAMAPTPOLB
SCHEMBL7924018 0.78 ALDH1A1 (0.58) TACR1ALDH1A1LMNAKDM4EMAPT
SCHEMBL7921879 0.74 MEN1 (0.41) ALDH1A1LMNAPOLBTSHRMEN1
SCHEMBL7921763 0.73 LMNA (0.56) ALDH1A1LMNAMAPTTSHRMEN1

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