SCHEMBL10906180

SCHEMBL10906180

CNC(=O)N(C(C)CCC(=O)O)N(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GABRP O00591 2/20 0.41
▸ GABRD O14764 2/20 0.41
▸ GABRA1 P14867 2/20 0.41
▸ GABRB1 P18505 2/20 0.41
▸ GABRG2 P18507 2/20 0.41
▸ GABRB3 P28472 2/20 0.41
▸ GABRA5 P31644 2/20 0.41
▸ GABRA3 P34903 2/20 0.41
▸ GABRA2 P47869 2/20 0.41
▸ GABRB2 P47870 2/20 0.41
▸ GABRA4 P48169 2/20 0.41
▸ GABRE P78334 2/20 0.41
▸ GABRA6 Q16445 2/20 0.41
▸ GABRG1 Q8N1C3 2/20 0.41
▸ GABRG3 Q99928 2/20 0.41
▸ GABRQ Q9UN88 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ ANPEP P15144 1/20 0.39
▸ ENPEP Q07075 1/20 0.39
▸ CHRNB2 P17787 2/20 0.36

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
SCHEMBL10906199 0.83 CHRNB2 (0.33) CHRNB2CHRNA4BMP1CHRNB4
SCHEMBL10906588 0.81 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL247201 0.73 CHRNB2 (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10905690 0.73 FFAR4 (0.49) PHF8KDM4C
SCHEMBL10906611 0.71 KMT2A (0.44) CYP1A2CHRNB2CHRNA4CHRNB4
SCHEMBL10905414 0.71 — —
SCHEMBL10903597 0.71 GAA (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL19389422 0.70 CYP1A2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10906182 0.69 — —
SCHEMBL15825625 0.68 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2

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-4633014-A ANTIARRHYTHMIA AGENTS INSTITUT ORGANICHESKOGO SINTEZA AKADEMII NAUK LATVIISKOI SSR 1986-12-30 — — US disclosed
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