SCHEMBL4976767

SCHEMBL4976767

CC(C)(C(O)Cc1ccccc1)N1CCN(C(=O)O)CC1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
CHRM1 P11229 9/20 0.45
ALDH1A1 P00352 3/20 0.39
HTT P42858 2/20 0.39
KMT2A Q03164 2/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD11B1 P28845 1/20 0.38

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
SCHEMBL28060232 0.75 CHRM1 (0.45) HSD17B10CHRM1ALDH1A1KMT2ATSHR
SCHEMBL28737795 0.75 CHRM1 (0.45) HSD17B10CHRM1ALDH1A1KMT2ATSHR
SCHEMBL4750370 0.75 CHRM1 (0.45) HSD17B10CHRM1ALDH1A1KMT2ATSHR
SCHEMBL24308806 0.74 HSD17B10 (0.52) HSD17B10CHRM1ALDH1A1HTTTSHR
SCHEMBL4752850 0.72 CHRM1 (0.53) HSD17B10CHRM1ALDH1A1KMT2ALMNA
SCHEMBL28042762 0.72 HSD11B1 (0.42) ALDH1A1KMT2ATSHRMEN1POLB
SCHEMBL2288262 0.70 MDM2 (0.48) HSD17B10KMT2AMEN1POLB
SCHEMBL6478746 0.69 TRPA1 (0.52)
SCHEMBL6473879 0.69 TRPA1 (0.52)
SCHEMBL9421889 0.69 TRPA1 (0.48)

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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 WO disclosed