SCHEMBL7915529

SCHEMBL7915529

COc1cc(C(C)C)ccc(CN2CCN(c3ccc(C)cc3C)CC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.44
LMNA P02545 6/20 0.44
HTT P42858 5/20 0.44
KDM4E B2RXH2 4/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
HTR7 P34969 2/20 0.43
DRD2 P14416 2/20 0.42
DRD4 P21917 1/20 0.42
HRH2 P25021 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
HTR1A P08908 2/20 0.42
TACR1 P25103 1/20 0.42
HTR2A P28223 1/20 0.41
ADRA1A P35348 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
SCHEMBL7924150 0.88 IGF1R (0.41) IGF1RLMNAHTTKDM4ESMN1; SMN2
SCHEMBL7923469 0.87 IGF1R (0.41) IGF1RLMNAHTTKDM4ESMN1; SMN2
SCHEMBL2161584 0.87 KDM4E (0.52) IGF1RLMNAHTTKDM4ESMN1; SMN2
SCHEMBL7924133 0.86 LMNA (0.48) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL7921965 0.86 ABCB1 (0.43) IGF1RLMNAMAPTDRD2DRD4
SCHEMBL7921419 0.85 LMNA (0.50) IGF1RLMNAHTTALOX15HTR1A
SCHEMBL7924162 0.85 KDM4E (0.62) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL7927315 0.82 KDM4E (0.58) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL7923519 0.81 LMNA (0.61) LMNAHTTKDM4ESMN1; SMN2MAPT
SCHEMBL7922874 0.80 MAPT (0.44) LMNAKDM4ESMN1; SMN2MAPTDRD2

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