SCHEMBL7986094

SCHEMBL7986094

NC(=O)C(c1ccc(F)cc1)N1CCC(CNC(=O)C2=Cc3cnc4cccc(n34)S2)CC1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
HTR4 Q13639 1/20 0.33
TPSAB1 Q15661 2/20 0.32
USP30 Q70CQ3 2/20 0.32
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
OPRM1 P35372 1/20 0.32
EHMT2 Q96KQ7 1/20 0.32
LMNA P02545 1/20 0.32
AR P10275 1/20 0.31
RPS6KB1 P23443 1/20 0.31
KCNH2 Q12809 2/20 0.31
ROCK2 O75116 1/20 0.31
CNR2 P34972 1/20 0.31

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 SCHEMBL7989777 0.99 ADORA2A (0.34) ADORA2ASCN5ASCN9AHTR4TPSAB1
SCHEMBL7983015 0.93 TPSAB1 (0.38) SCN5ASCN9AHTR4TPSAB1USP30
Hydrochloric Acid SCHEMBL7989389 0.92 TPSAB1 (0.37) SCN5ASCN9AHTR4TPSAB1USP30
SCHEMBL7971580 0.88 KCNH2 (0.35) HTR4RPS6KB1KCNH2CNR2
Hydrochloric Acid SCHEMBL7971809 0.87 KCNH2 (0.35) HTR4RPS6KB1KCNH2CNR2
SCHEMBL7983347 0.86 CNR2 (0.34) HTR4USP30CKS1BSKP1SKP2
Hydrochloric Acid SCHEMBL7985987 0.85 CNR2 (0.34) HTR4USP30CKS1BSKP1SKP2
SCHEMBL7989660 0.82 USP30 (0.38) SCN5AHTR4TPSAB1USP30CKS1B
Hydrochloric Acid SCHEMBL7985995 0.82 USP30 (0.38) SCN5AHTR4TPSAB1USP30CKS1B
SCHEMBL7982581 0.81 CCR3 (0.46) HTR4KCNH2

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