SCHEMBL7666020

SCHEMBL7666020

CC(C[CH]C(=O)NCCC(c1ccccc1)c1ccccc1)C(N)=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MTNR1A P48039 1/20 0.54
▸ MTNR1B P49286 1/20 0.54
▸ CASR P41180 2/20 0.51
▸ CNR1 P21554 11/20 0.49
▸ CNR2 P34972 9/20 0.49
▸ EPHX2 P34913 3/20 0.49
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL7382770 0.86 BCAT2 (0.42) MTNR1AMTNR1BCASR
SCHEMBL7391823 0.81 CACNA1B (0.52) EPHX2MEN1KMT2A
SCHEMBL17152620 0.79 MTNR1A (0.54) MTNR1AMTNR1BEPHX2MEN1KMT2A
SCHEMBL17152612 0.79 ALDH1A1 (0.50) MEN1KMT2A
SCHEMBL7391206 0.79 LMNA (0.48) MEN1KMT2A
SCHEMBL17152384 0.75 SMN1; SMN2 (0.43) EPHX2KMT2A
SCHEMBL5184559 0.75 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL4952911 0.75 ALDH1A1 (0.46) MEN1KMT2A
SCHEMBL3642993 0.74 MTNR1A (0.68) MTNR1AMTNR1BCASRCNR1CNR2
SCHEMBL17152413 0.74 MTNR1A (0.56) MTNR1AMTNR1BCNR1MEN1KMT2A

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-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 — — US disclosed
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