SCHEMBL7915514

SCHEMBL7915514

CC(C)c1ccc(CN2CCN(c3ccccn3)CC2)c(=O)c(O)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
LMNA P02545 4/20 0.55
TSHR P16473 1/20 0.55
DRD2 P14416 2/20 0.52
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
RAB9A P51151 2/20 0.48
MAPK1 P28482 2/20 0.48
NPSR1 Q6W5P4 2/20 0.48
USP2 O75604 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NOD2 Q9HC29 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
PANK3 Q9H999 1/20 0.48
KCNH2 Q12809 1/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48

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
SCHEMBL6139376 0.88 LMNA (0.55) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL7921621 0.84 ALDH1A1 (0.76) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL7915455 0.81 LMNA (0.58) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL7924002 0.81 LMNA (0.59) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL7921984 0.81 ALDH1A1 (0.57) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL6139467 0.80 LMNA (0.48) ALDH1A1LMNATSHRDRD2KMT2A
Hydrochloric Acid SCHEMBL7924064 0.80 LMNA (0.58) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL7915290 0.79 KDM4E (0.58) ALDH1A1LMNATSHRDRD2KMT2A
SCHEMBL7921975 0.78 ALDH1A1 (0.60) ALDH1A1LMNATSHRKMT2AMEN1
SCHEMBL7921838 0.78 LMNA (0.60) ALDH1A1LMNATSHRDRD2MAPT

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