SCHEMBL7921776

SCHEMBL7921776

COc1ccc(N2CCN(Cc3ccc(C(C)C)cc(O)c3=O)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
ALDH1A1 P00352 3/20 0.58
TSHR P16473 1/20 0.58
MAPT P10636 4/20 0.55
TDP1 Q9NUW8 2/20 0.55
HTT P42858 1/20 0.55
GAA P10253 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
ADRB2 P07550 3/20 0.48
ADRB1 P08588 2/20 0.48
ADRB3 P13945 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
TP53 P04637 1/20 0.48
MAPK1 P28482 1/20 0.48
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
IGF1R P08069 1/20 0.47

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
SCHEMBL7927267 0.88 MAPT (0.49) LMNAALDH1A1TSHRMAPTTDP1
SCHEMBL7921747 0.88 LMNA (0.62) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL7921621 0.88 ALDH1A1 (0.76) LMNAALDH1A1TSHRMAPTHTT
SCHEMBL7921771 0.87 LMNA (0.61) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL7594639 0.87 LMNA (0.61) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL7924163 0.85 LMNA (0.47) LMNAALDH1A1TSHRMAPTTDP1
SCHEMBL7927377 0.83 LMNA (0.56) LMNAALDH1A1TSHRMAPTGAA
SCHEMBL7927355 0.83 DRD2 (0.46) LMNAALDH1A1TSHRMAPTTDP1
SCHEMBL7921790 0.83 DRD2 (0.46) LMNAALDH1A1TSHRMAPTTDP1
SCHEMBL7915290 0.82 KDM4E (0.58) LMNAALDH1A1TSHRMAPTTDP1

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