SCHEMBL9824331

SCHEMBL9824331

COc1cc(CCNC(C)Cc2cc(OC)ccc2C#Cc2ccccc2)cc(OC)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.53
SIGMAR1 Q99720 4/20 0.44
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
ACACB O00763 5/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTGES O14684 3/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL30357966 0.99 SLC2A1 (0.52) SLC2A1SIGMAR1MTNR1AMTNR1BACACB
SCHEMBL9824451 0.88 SLC2A1 (0.52) SLC2A1SIGMAR1MTNR1AMTNR1BACACB
SCHEMBL9824587 0.85 SLC2A1 (0.45) SLC2A1SIGMAR1MTNR1AMTNR1BACACB
SCHEMBL10411870 0.83 MTNR1A (0.45) SLC2A1SIGMAR1MTNR1AMTNR1BACACB
SCHEMBL10738517 0.80 SIGMAR1 (0.42) SIGMAR1MTNR1AMTNR1BACACBPTGES
SCHEMBL9210269 0.79 HTT (0.47) SLC2A1MTNR1AMTNR1BACACBMEN1
Oxalic Acid SCHEMBL10576933 0.77 PTGES (0.54) SLC2A1ACACBMEN1KMT2APTGES
SCHEMBL10412812 0.77 HTR2A (0.55)
SCHEMBL9824898 0.77 SLC2A1 (0.50) SLC2A1SIGMAR1MEN1KMT2AHTT
SCHEMBL9824627 0.77 SLC2A1 (0.50) SLC2A1SIGMAR1MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4742084-A Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives MCNEILAB, INC. (US) 1988-05-03 US claimed
US-4661635-A ANTIARRHYTHMIA AGENTS MCNEILAB, INC. (US) 1987-04-28 US claimed
EP-0250254-B1 CIS & TRANS STILBENES AND THEIR COMPOSITION FOR THE TREATMENT OF HYPERTENSION McNeilab, Inc. (US) 1991-06-19 EP disclosed
US-4742084-A Aralykyl (arylethynyl)aralkyl amines and their use as vasodilators and antihypertensives MCNEILAB, INC. (US) 1988-05-03 US disclosed
EP-0250254-A1 Cis & trans stilbenes and their composition for the treatment of hypertension McNeilab, Inc. (US) 1987-12-23 EP disclosed
US-4661635-A ANTIARRHYTHMIA AGENTS MCNEILAB, INC. (US) 1987-04-28 US disclosed