SCHEMBL7927342

SCHEMBL7927342

CC(C)c1ccc(CN2CCC(C(=O)c3ccccc3)CC2)c(=O)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TSHR P16473 1/20 0.49
CCR3 P51677 2/20 0.48
MGLL Q99685 5/20 0.48
KCNH2 Q12809 1/20 0.46
HTR2A P28223 2/20 0.46
FAAH O00519 1/20 0.45
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CACNA1B Q00975 1/20 0.42

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
SCHEMBL7921870 0.87 TACR1 (0.47) ALDH1A1CCR3MGLLKCNH2HTR2A
SCHEMBL7921789 0.85 CCR3 (0.45) ALDH1A1CCR3MGLLKCNH2HTR2A
SCHEMBL7921581 0.83 KCNH2 (0.45) ALDH1A1CCR3MGLLKCNH2HTR2A
SCHEMBL7927367 0.83 RAB9A (0.46) LMNAALDH1A1CCR3MGLLHTR2A
SCHEMBL7927354 0.83 KCNH2 (0.49) ALDH1A1CCR3MGLLKCNH2HTR2A
SCHEMBL7924032 0.82 MEN1 (0.51) LMNAALDH1A1TSHRCCR3MEN1
SCHEMBL7924002 0.81 LMNA (0.59) LMNAALDH1A1TSHRFAAHMEN1
SCHEMBL7921621 0.80 ALDH1A1 (0.76) LMNAALDH1A1TSHRMEN1KMT2A
Hydrochloric Acid SCHEMBL7924064 0.80 LMNA (0.58) LMNAALDH1A1TSHRFAAHMEN1
SCHEMBL4042398 0.77 HTR2A (0.62) LMNAALDH1A1KCNH2HTR2A

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