SCHEMBL7921771

SCHEMBL7921771

CC(C)c1ccc(CN2CCN(c3ccc(F)cc3)CC2)c(=O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.61
MAPT P10636 4/20 0.61
ALDH1A1 P00352 3/20 0.61
TSHR P16473 2/20 0.61
TP53 P04637 1/20 0.50
KDM4E B2RXH2 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
PANK3 Q9H999 1/20 0.46
MAPK1 P28482 1/20 0.45
KCNH2 Q12809 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
GAA P10253 1/20 0.43

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
SCHEMBL7921747 0.90 LMNA (0.62) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL7921621 0.90 ALDH1A1 (0.76) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL7921923 0.89 LMNA (0.58) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL7594639 0.89 LMNA (0.61) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL7921776 0.87 LMNA (0.58) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL7927377 0.85 LMNA (0.56) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL7923483 0.84 LMNA (0.56) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL7921975 0.83 ALDH1A1 (0.60) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL7921838 0.83 LMNA (0.60) LMNAMAPTALDH1A1TSHRTP53
SCHEMBL7923135 0.83 LMNA (0.57) LMNAMAPTALDH1A1TSHRTP53

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