SCHEMBL7989660

SCHEMBL7989660

O=C(NCC1CCN(C(c2ccccc2)c2ccccc2)CC1)C1=Cc2cnc3cccc(n23)S1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 3/20 0.38
CKS1B P61024 2/20 0.36
SKP1 P63208 2/20 0.36
SKP2 Q13309 2/20 0.36
ALDH1A1 P00352 1/20 0.36
HTR4 Q13639 2/20 0.35
ROCK2 O75116 2/20 0.35
CNR1 P21554 3/20 0.35
TPSAB1 Q15661 2/20 0.35
CNR2 P34972 1/20 0.34
SCN7A Q01118 1/20 0.34
SCN5A Q14524 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34

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
Hydrochloric Acid SCHEMBL7985995 0.99 USP30 (0.38) USP30CKS1BSKP1SKP2ALDH1A1
SCHEMBL7983015 0.90 TPSAB1 (0.38) USP30CKS1BSKP1SKP2HTR4
Hydrochloric Acid SCHEMBL7989389 0.89 TPSAB1 (0.37) USP30CKS1BSKP1SKP2HTR4
SCHEMBL7989618 0.88 CCR5 (0.41) USP30HTR4TPSAB1
Hydrochloric Acid SCHEMBL7972100 0.87 CCR5 (0.41) USP30HTR4TPSAB1
Hydrochloric Acid SCHEMBL7983228 0.84 HDAC3 (0.50) HTR4HDAC3HDAC4HDAC1HDAC7
SCHEMBL7981833 0.83 HTR4 (0.47) HTR4HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7986403 0.82 HTR4 (0.47) HTR4HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL7989777 0.82 ADORA2A (0.34) USP30CKS1BSKP1SKP2HTR4
SCHEMBL7989146 0.82 HTR7 (0.49) HTR4HDAC6

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed