SCHEMBL7915290

SCHEMBL7915290

COc1ccccc1N1CCN(Cc2ccc(C(C)C)cc(O)c2=O)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
LMNA P02545 4/20 0.58
HTT P42858 3/20 0.58
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALOX15 P16050 1/20 0.58
HSD17B10 Q99714 1/20 0.58
GAA P10253 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
DRD2 P14416 3/20 0.57
DRD4 P21917 3/20 0.57
DRD3 P35462 3/20 0.57
HRH1 P35367 2/20 0.57
HRH2 P25021 1/20 0.57
KMT2A Q03164 2/20 0.56
ALOX12 P18054 1/20 0.56
NFKB1 P19838 1/20 0.56
MPI P34949 1/20 0.56
RAB9A P51151 1/20 0.56
NFKB2 Q00653 1/20 0.56

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
SCHEMBL7924162 0.90 KDM4E (0.62) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL7915455 0.88 LMNA (0.58) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL7921984 0.87 ALDH1A1 (0.57) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL7921621 0.84 ALDH1A1 (0.76) KDM4ELMNAHTTMAPTALOX15
SCHEMBL7927375 0.84 KDM4E (0.54) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL7927315 0.83 KDM4E (0.58) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL7923134 0.83 KDM4E (0.53) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL7921648 0.83 DRD4 (0.54) KDM4ELMNAHTTMAPTSMN1; SMN2
SCHEMBL7924163 0.82 LMNA (0.47) KDM4ELMNAHTTMAPTTDP1
SCHEMBL7921776 0.82 LMNA (0.58) KDM4ELMNAHTTMAPTSMN1; SMN2

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 2 patents. 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
EP-0995741-A1 REMEDIES/PREVENTIVES FOR FREQUENT URINATION/URINARY INCONTINENCE AND TROPONE DERIVATIVES Nippon Kayaku Kabushiki Kaisha (JP) 2000-04-26 EP disclosed