SCHEMBL8579403

SCHEMBL8579403

CN(C(=O)CCc1ccc2ccccc2c1)C(Cc1ccccc1)c1nc(C(=O)NCc2ccccc2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
BMP1 P13497 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
NR1H4 Q96RI1 1/20 0.39
POLB P06746 1/20 0.38
FFAR1 O14842 2/20 0.38
PPARG P37231 1/20 0.37
FCER2 P06734 1/20 0.36
SRC P12931 1/20 0.36
ZAP70 P43403 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 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
SCHEMBL4282449 0.91 ZAP70 (0.39) CYP1A2FFAR1FCER2SRCZAP70
SCHEMBL4284137 0.87 SLC7A11 (0.39) BMP1CYP1A2FFAR1SRCZAP70
SCHEMBL6601083 0.85 MC4R (0.41) SMN1; SMN2BMP1CYP1A2CYP2D6CYP2C19
SCHEMBL8579396 0.85 SMN1; SMN2 (0.41) SMN1; SMN2BMP1CYP1A2CYP2D6CYP2C19
SCHEMBL6606303 0.80 SLC7A11 (0.38) CYP1A2FFAR1HDAC1HDAC8SLC7A11
SCHEMBL6600377 0.79 CTSS (0.50) FCER2KMT2APRSS1PRSS2PRSS3
SCHEMBL6601080 0.77 SMN1; SMN2 (0.38) SMN1; SMN2BMP1CYP1A2CYP2D6CYP2C19
SCHEMBL6602302 0.77 GHSR (0.42) BMP1FCER2
SCHEMBL6602122 0.76 MC4R (0.42) FCER2SRCZAP70SLC7A11
SCHEMBL4282444 0.76 CAPN1 (0.39) FCER2SRCZAP70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0907374-A1 GROWTH HORMONE COMPONENT AND BONE ANTI-RESORPTIVE AGENT IN CYCLIC (COHERENCE) TREATMENT OF OSTEOPOROSIS NOVO NORDISK A/S (DK) 1999-04-14 EP disclosed
WO-1997046252-A1 GROWTH HORMONE COMPONENT AND BONE ANTI-RESORPTIVE AGENT IN CYCLIC (COHERENCE) TREATMENT OF OSTEOPOROSIS NOVO NORDISK A/S (DK) 1997-12-11 WO disclosed