SCHEMBL8579396

SCHEMBL8579396

CN(C(=O)[CH]Cc1ccc2ccccc2c1)C(Cc1ccccc1)c1nc(C(=O)NCc2ccccc2)no1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
BMP1 P13497 1/20 0.39
NR1H4 Q96RI1 1/20 0.38
GHSR Q92847 1/20 0.36
CAPN1 P07384 2/20 0.36
FCER2 P06734 1/20 0.36
POLB P06746 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35

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
SCHEMBL6601402 0.91 CAPN1 (0.39) GHSRCAPN1FCER2MAOBPSMB5
SCHEMBL4282444 0.91 CAPN1 (0.39) GHSRCAPN1FCER2MAOBPSMB5
SCHEMBL6601080 0.88 SMN1; SMN2 (0.38) SMN1; SMN2CYP1A2CYP2D6CYP2C19BMP1
SCHEMBL4284133 0.88 MAOB (0.37) SMN1; SMN2BMP1GHSRCAPN1MAOB
SCHEMBL8579403 0.85 SMN1; SMN2 (0.41) SMN1; SMN2CYP1A2CYP2D6CYP2C19BMP1
SCHEMBL6601083 0.84 MC4R (0.41) SMN1; SMN2CYP1A2CYP2D6CYP2C19BMP1
SCHEMBL6601217 0.84 PSMB5 (0.36) GHSRFCER2MAOBPSMB5
SCHEMBL6606297 0.81 PSMB5 (0.37) GHSRMAOBPSMB5
SCHEMBL6600950 0.80 CAPN1 (0.37) GHSRCAPN1FCER2PRSS1PRSS2
SCHEMBL6600377 0.79 CTSS (0.50) FCER2PRSS1PRSS2PRSS3TPSAB1

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