SCHEMBL8927341

SCHEMBL8927341

CC(Oc1cccc(Br)c1)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
AAK1 Q2M2I8 1/20 0.42
ALDH1A1 P00352 3/20 0.40
HTT P42858 1/20 0.40
TSHR P16473 2/20 0.40
MTOR P42345 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CHRNA1 P02708 1/20 0.40
CHRNG P07510 1/20 0.40
CHRNB1 P11230 1/20 0.40
CHRNB2 P17787 1/20 0.40
SLC6A2 P23975 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CHRND Q07001 1/20 0.40
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 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
SCHEMBL5912618 0.82 ALDH1A1 (0.43) SMN1; SMN2AAK1ALDH1A1TSHRL3MBTL1
SCHEMBL4494684 0.81 L3MBTL1 (0.48) AAK1ALDH1A1HTTTSHRL3MBTL1
SCHEMBL11292175 0.78 MEN1 (0.43) SMN1; SMN2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL28917700 0.76 NR1H4 (0.40) KMT2AMEN1
SCHEMBL8251020 0.75 MBTD1 (0.59) AAK1ALDH1A1HTTTSHRMTOR
SCHEMBL17420568 0.73 KCNA5 (0.43) SMN1; SMN2ALDH1A1TSHRL3MBTL1LMNA
SCHEMBL5412380 0.73 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1TSHRL3MBTL1KMT2A
SCHEMBL29731196 0.73 NPC1 (0.49) SMN1; SMN2ALDH1A1HTTKMT2ALMNA
SCHEMBL1204347 0.73 NPC1 (0.49) SMN1; SMN2ALDH1A1HTTKMT2ALMNA
SCHEMBL8384042 0.73 NPC1 (0.49) SMN1; SMN2ALDH1A1HTTKMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5643896-A TREATMENT OF MENOPAUSE SYMPTOMS, OSTEOPOROSIS, CARDIOVASCULAR DISORDERS OR ESTROGEN DEPENDENT CANCER ELI LILLY AND COMPANY (US) 1997-07-01 US disclosed
EP-0729955-A1 2-Benzyl-3-Arylbenzothiophenes useful for the treatment of post-menopausal syndrome ELI LILLY AND COMPANY (US) 1996-09-04 EP disclosed
US-5552401-A CARDIOVASCULAR DISORDERS, OSTEOPOROSIS AND ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed