SCHEMBL7923508

SCHEMBL7923508

CCCOc1cc(C(C)C)ccc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1=O

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
HTR1A P08908 3/20 0.43
POLB P06746 1/20 0.43
ACHE P22303 2/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
IGF1R P08069 1/20 0.42
ALDH1A1 P00352 4/20 0.42
LMNA P02545 4/20 0.42
MAPT P10636 4/20 0.42
TSHR P16473 1/20 0.41
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
HTR2A P28223 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL7915519 0.95 HTR1A (0.44) MEN1KMT2AHTR1APOLBACHE
SCHEMBL7915534 0.93 MAPT (0.44) MEN1KMT2APOLBACHECA12
SCHEMBL7921447 0.89 CA12 (0.47) KMT2AHTR1APOLBACHECA12
SCHEMBL7915494 0.88 LMNA (0.45) ALDH1A1LMNAMAPTTSHRTP53
SCHEMBL7923530 0.86 CA12 (0.48) MEN1KMT2AHTR1APOLBCA12
SCHEMBL7915565 0.86 LMNA (0.56) MEN1KMT2AHTR1AALDH1A1LMNA
SCHEMBL7921790 0.86 DRD2 (0.46) MEN1KMT2ACA12CA9ALDH1A1
SCHEMBL7923972 0.83 LMNA (0.44) MEN1KMT2AALDH1A1LMNAMAPT
SCHEMBL7927377 0.82 LMNA (0.56) HTR1APOLBACHEIGF1RALDH1A1
SCHEMBL7927355 0.82 DRD2 (0.46) MEN1KMT2ACA12CA9ALDH1A1

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