SCHEMBL7924032

SCHEMBL7924032

CC(C)c1ccc(CN2CCC(Cc3ccccc3)CC2)c(=O)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 1/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
BLM P54132 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CYP1A2 P05177 2/20 0.50
LMNA P02545 2/20 0.50
ALDH1A1 P00352 2/20 0.50
CCR3 P51677 2/20 0.50
GRIN2D O15399 2/20 0.50
GRIN3B O60391 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
GRIN1 Q05586 2/20 0.50
GRIN2A Q12879 2/20 0.50
GRIN2B Q13224 2/20 0.50
GRIN2C Q14957 2/20 0.50

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
SCHEMBL7924002 0.86 LMNA (0.59) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
Hydrochloric Acid SCHEMBL7924064 0.85 LMNA (0.58) MEN1KMT2ALMNAALDH1A1ADRA1D
SCHEMBL7927378 0.85 MEN1 (0.60) MEN1KMT2ACCR3POLB
SCHEMBL7927349 0.83 MEN1 (0.50) MEN1KMT2AKDM4EALDH1A1CCR3
SCHEMBL7924050 0.83 MEN1 (0.50) MEN1KMT2ACYP1A2LMNAALDH1A1
SCHEMBL7924082 0.82 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1CCR3
SCHEMBL7927342 0.82 LMNA (0.49) MEN1KMT2ALMNAALDH1A1CCR3
SCHEMBL7921904 0.81 MEN1 (0.48) MEN1KMT2AKDM4EALDH1A1CCR3
SCHEMBL7921621 0.81 ALDH1A1 (0.76) MEN1KMT2AKDM4EMAPTLMNA
SCHEMBL7915455 0.76 LMNA (0.58) MEN1KMT2AKDM4EMAPTSMN1; SMN2

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