SCHEMBL6936657

SCHEMBL6936657

O=C1NCCN[C@@H]1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.58
HDAC8 Q9BY41 2/20 0.58
SLC22A1 O15245 1/20 0.50
PRCP P42785 1/20 0.50
TACR2 P21452 4/20 0.47
ALDH1A1 P00352 1/20 0.46
GHSR Q92847 4/20 0.46
CTSD P07339 1/20 0.45
ADRB2 P07550 1/20 0.44
GRIN2B Q13224 1/20 0.43

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
SCHEMBL9437533 1.00 GLA (0.58) GLAHDAC8SLC22A1PRCPTACR2
SCHEMBL9437531 1.00 GLA (0.58) GLAHDAC8SLC22A1PRCPTACR2
SCHEMBL27591735 0.86 GLA (0.60) GLAHDAC8SLC22A1PRCPTACR2
SCHEMBL3707026 0.84 HDAC8 (0.60) GLAHDAC8SLC22A1PRCPCTSD
SCHEMBL3546522 0.83 GLA (0.56) GLAHDAC8ALDH1A1GHSR
SCHEMBL13876425 0.83 MLNR (0.53) GLA
SCHEMBL18577231 0.83 SMN1; SMN2 (0.44) GLAHDAC8GHSR
SCHEMBL18577233 0.83 SMN1; SMN2 (0.44) GLAHDAC8GHSR
SCHEMBL7647043 0.81 MLNR (0.46) GLAHDAC8TACR2ALDH1A1GHSR
SCHEMBL10153134 0.81 GLA (0.45) GLAHDAC8ALDH1A1GHSR

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108129404-B Synthesis method of chiral piperazinone derivative 凯瑞斯德生化(苏州)有限公司 2020-05-01 CN disclosed
EP-0907643-B1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK AS (DK) 2003-01-15 EP disclosed
US-5919777-A PIPERAZINE DERIVATIVES USEFUL FOR TREATING MEDICAL DISORDERS RESULTING FROM A GROWTH HORMONE DEFIENCY NOVO NORDISK A/S (DK) 1999-07-06 US disclosed
EP-0907643-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1999-04-14 EP disclosed
WO-1997040023-A1 COMPOUNDS WITH GROWTH HORMONE RELEASING PROPERTIES NOVO NORDISK A/S (DK) 1997-10-30 WO disclosed