SCHEMBL3866767

SCHEMBL3866767

CC(C)C[C@@H](CC(N)=O)C(=O)N1CCN(c2ccccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.57
▸ KDM4E B2RXH2 11/20 0.56
▸ NPSR1 Q6W5P4 1/20 0.56
▸ ADRB2 P07550 1/20 0.55
▸ HSD17B10 Q99714 6/20 0.55
▸ TSHR P16473 2/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ CYP3A4 P08684 1/20 0.49
▸ CYP2C9 P11712 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ PANK3 Q9H999 1/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ MAPT P10636 1/20 0.47

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
SCHEMBL10858811 0.83 ALDH1A1 (0.62) ALDH1A1KDM4ENPSR1ADRB2HSD17B10
SCHEMBL10858817 0.83 ALDH1A1 (0.62) ALDH1A1KDM4ENPSR1ADRB2HSD17B10
SCHEMBL27660762 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ENPSR1ADRB2HSD17B10
SCHEMBL4546626 0.79 ALDH1A1 (0.74) ALDH1A1KDM4EADRB2HSD17B10TSHR
SCHEMBL7068390 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ENPSR1ADRB2HSD17B10
SCHEMBL7068386 0.78 ALDH1A1 (0.53) ALDH1A1KDM4ENPSR1ADRB2HSD17B10
SCHEMBL390491 0.78 KDM4E (0.65) ALDH1A1KDM4ENPSR1ADRB2HSD17B10
SCHEMBL2252745 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ENPSR1ADRB2HSD17B10
SCHEMBL2249019 0.77 ALDH1A1 (0.58) ALDH1A1KDM4ENPSR1ADRB2HSD17B10
SCHEMBL10859134 0.77 KDM4E (0.73) ALDH1A1KDM4ENPSR1ADRB2HSD17B10

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
EP-1771421-B1 N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF SERONO LAB (CH) 2009-04-29 — — EP disclosed
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