SCHEMBL7955846

SCHEMBL7955846

Cc1nccn1-c1ncc(CCC(=O)Nc2ccc(Cl)cc2)o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
PORCN Q9H237 1/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40

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
SCHEMBL5210064 0.73 MAPT (0.42) POLBCYP3A4CYP2D6PORCNMEN1
SCHEMBL5770174 0.73 LMNA (0.41) POLBCYP3A4CYP2D6PORCNMEN1
SCHEMBL5210386 0.71 MAPT (0.38) POLBCYP3A4CYP2D6PORCNMEN1
SCHEMBL5245911 0.70 CHRM1 (0.39) CYP3A4CYP2D6PORCNMEN1LMNA
SCHEMBL5210390 0.70 MAPT (0.41) CYP3A4CYP2D6PORCNMEN1LMNA
SCHEMBL10902060 0.70 F10 (0.57) CYP3A4CYP2D6PORCNMEN1MAPT
SCHEMBL11687763 0.69 TRPV1 (0.48) CYP2D6MEN1LMNAMAPK1KMT2A
SCHEMBL1363284 0.68 KCNH2 (0.34) CYP3A4CYP2D6LMNA
SCHEMBL10903822 0.67 F10 (0.60) CYP3A4CYP2D6PORCNLMNAMAPK1
SCHEMBL7463020 0.67 RXFP1 (0.39) CYP3A4CYP2D6MEN1LMNAMAPT

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-6177452-B1 ANTIDIABETIC AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-23 US disclosed