SCHEMBL11679384

SCHEMBL11679384

O=C1COC(CN2c3ccccc3C3CC3c3ccccc32)CN1Cc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 3/20 0.41
▸ HPGD P15428 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.36
▸ CACNA1G O43497 4/20 0.36
▸ CACNA1H O95180 4/20 0.36
▸ CACNA1I Q9P0X4 3/20 0.36
▸ POLB P06746 1/20 0.35
▸ GRM2 Q14416 1/20 0.34
▸ ALDH1A1 P00352 3/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ EPHX2 P34913 1/20 0.34
▸ BRD4 O60885 1/20 0.34

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
SCHEMBL11678866 0.84 POLB (0.54) HPGDTSHRSIRT1POLBSMN1; SMN2
SCHEMBL11682076 0.84 HPGD (0.41) DPP4HPGDTSHRSIRT1CACNA1G
SCHEMBL7687455 0.79 HPGD (0.50) DPP4HPGDTSHRSIRT1GRM2
SCHEMBL7687450 0.79 HPGD (0.50) DPP4HPGDTSHRSIRT1GRM2
SCHEMBL11678485 0.77 DRD4 (0.56) —
SCHEMBL29254189 0.75 HPGD (0.49) DPP4HPGDTSHRSIRT1POLB
SCHEMBL29254194 0.75 HPGD (0.49) DPP4HPGDTSHRSIRT1POLB
SCHEMBL7685677 0.71 CYP19A1 (0.49) HPGDTSHRPOLBALDH1A1
SCHEMBL7685673 0.71 CYP19A1 (0.49) HPGDTSHRPOLBALDH1A1
SCHEMBL9209885 0.71 HPGD (0.42) DPP4HPGDTSHRGRM2ALDH1A1

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-4017621-A 2-Morpholinyl tricyclic dibenzazepine compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-04-12 — — US disclosed
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