SCHEMBL7915519

SCHEMBL7915519

CCCCOc1cc(C(C)C)ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.44
CA12 O43570 1/20 0.44
CA9 Q16790 1/20 0.44
MAPT P10636 5/20 0.42
ALDH1A1 P00352 3/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.42
HTR2A P28223 2/20 0.42
ACHE P22303 1/20 0.42
GALR3 O60755 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
IGF1R P08069 1/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7923508 0.95 MEN1 (0.44) HTR1ACA12CA9MAPTALDH1A1
SCHEMBL7915534 0.92 MAPT (0.44) CA12CA9MAPTALDH1A1HTT
SCHEMBL7923972 0.88 LMNA (0.44) MAPTALDH1A1HTTMEN1KMT2A
SCHEMBL7921447 0.88 CA12 (0.47) HTR1ACA12CA9MAPTALDH1A1
SCHEMBL7927355 0.87 DRD2 (0.46) CA12CA9MAPTALDH1A1HTT
SCHEMBL7921529 0.87 LMNA (0.55) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL7923530 0.86 CA12 (0.48) HTR1ACA12CA9MAPTALDH1A1
SCHEMBL7921790 0.83 DRD2 (0.46) CA12CA9MAPTALDH1A1HTT
SCHEMBL7915494 0.83 LMNA (0.45) MAPTALDH1A1HTTLMNATSHR
SCHEMBL7915565 0.82 LMNA (0.56) HTR1AMAPTALDH1A1HTTMEN1

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