SCHEMBL7923972

SCHEMBL7923972

CCCCOc1cc(C(C)C)ccc(CN2CCN(c3ccc(C)cc3)CC2)c1=O

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.44
ALDH1A1 P00352 4/20 0.44
TSHR P16473 2/20 0.44
MAPT P10636 1/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
HTR7 P34969 1/20 0.39
PLA2G2A P14555 1/20 0.39
DRD2 P14416 3/20 0.38
DRD4 P21917 3/20 0.38
DRD3 P35462 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ABCB1 P08183 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL7915494 0.95 LMNA (0.45) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7927355 0.91 DRD2 (0.46) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7921529 0.91 LMNA (0.55) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7923493 0.91 LMNA (0.47) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7924033 0.89 LMNA (0.44) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7915519 0.88 HTR1A (0.44) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL7923469 0.87 IGF1R (0.41) LMNAALDH1A1MAPTHTTL3MBTL1
SCHEMBL7921790 0.87 DRD2 (0.46) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7924133 0.86 LMNA (0.48) LMNAALDH1A1TSHRMAPTTP53
SCHEMBL7915565 0.86 LMNA (0.56) LMNAALDH1A1TSHRMAPTTP53

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