SCHEMBL8384857

SCHEMBL8384857

COc1cccc(CN(C(=O)C(C)C)N(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 4/20 0.51
▸ KMT2A Q03164 4/20 0.51
▸ HSD17B2 P37059 4/20 0.50
▸ BCHE P06276 1/20 0.48
▸ ACHE P22303 1/20 0.48
▸ TAAR1 Q96RJ0 3/20 0.48
▸ ALDH1A1 P00352 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ PTGES O14684 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RECQL P46063 1/20 0.46
▸ CALM1 P0DP23 1/20 0.46
▸ CAMKK2 Q96RR4 1/20 0.46

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
SCHEMBL15831230 0.86 MEN1 (0.62) MEN1KMT2AHSD17B2BCHEACHE
SCHEMBL14521710 0.77 ROCK2 (0.53) MEN1KMT2AHSD17B2BCHEACHE
SCHEMBL6417242 0.75 HSD17B2 (0.63) MEN1KMT2AHSD17B2BCHEACHE
SCHEMBL9781367 0.74 ROCK2 (0.53) MEN1KMT2AHSD17B2BCHEACHE
SCHEMBL3996160 0.74 HSD17B2 (0.61) MEN1KMT2AHSD17B2BCHEACHE
SCHEMBL850832 0.73 CALM1 (0.64) MEN1KMT2AHSD17B2BCHEACHE
SCHEMBL29547354 0.73 CALM1 (0.64) MEN1KMT2AHSD17B2BCHEACHE
SCHEMBL1134084 0.73 KMT2A (0.61) MEN1KMT2AHSD17B2BCHEACHE
SCHEMBL9681681 0.73 TAAR1 (0.56) MEN1KMT2AHSD17B2TAAR1ALDH1A1
SCHEMBL3175855 0.73 CTBP2 (0.57) MEN1KMT2ATAAR1ALDH1A1SMN1; SMN2

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-5977132-A GALACTORRHEA, HYPERPROLACTINEMIC OVULATION, PROLACTINOMA AND BRAIN TUMORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-11-02 — — US disclosed
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