SCHEMBL7216738

SCHEMBL7216738

COc1cccc2c1NC(C)(c1ccccc1)C=C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.34
▸ CA1 P00915 2/20 0.34
▸ CA2 P00918 2/20 0.34
▸ CA7 P43166 2/20 0.34
▸ CA9 Q16790 2/20 0.34
▸ CA14 Q9ULX7 2/20 0.34
▸ CA4 P22748 1/20 0.34
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ OPRM1 P35372 3/20 0.33
▸ OPRL1 P41146 3/20 0.33
▸ HTR5A P47898 2/20 0.33
▸ OPRD1 P41143 2/20 0.33
▸ OPRK1 P41145 2/20 0.33
▸ SIRT1 Q96EB6 1/20 0.33
▸ FGFR1 P11362 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ HTR1D P28221 1/20 0.32
▸ HTR2C P28335 1/20 0.32

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
SCHEMBL10841248 0.80 HTR5A (0.36) CA12CA1CA2CA7CA9
SCHEMBL29789738 0.80 HTR5A (0.36) CA12CA1CA2CA7CA9
SCHEMBL29976025 0.73 GAA (0.43) CYP3A4CYP2C19
SCHEMBL2125224 0.73 GAA (0.43) CYP3A4CYP2C19
SCHEMBL29976397 0.69 ATM (0.46) CA4OPRM1OPRL1SMN1; SMN2
SCHEMBL19216987 0.69 KMT2A (0.42) CA12CA1CA2CA7CA9
SCHEMBL28547293 0.69 ATM (0.46) CA4OPRM1OPRL1SMN1; SMN2
SCHEMBL29976016 0.69 OPRD1 (0.40) CA1CA2CA7CA9OPRM1
SCHEMBL28555387 0.69 OPRD1 (0.40) CA1CA2CA7CA9OPRM1
SCHEMBL19457182 0.64 ADRB2 (0.54) CA12CA1CA2CA7CA9

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-6617336-B1 Treatment of urinary incontinence, venous insufficiency, migraine or gastrointestinal disorders SANOFI-SYNTHELABO (FR) 2003-09-09 — — US disclosed
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