SCHEMBL8828489

SCHEMBL8828489

CCCNc1ccnc(N2CCN(c3ccc(C#N)cc3OC)CC2)c1C(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TNIK Q9UKE5 3/20 0.41
▸ SLC2A1 P11166 1/20 0.41
▸ SLC2A2 P11168 1/20 0.41
▸ SLC2A3 P11169 1/20 0.41
▸ CDK8 P49336 2/20 0.40
▸ GPR6 P46095 2/20 0.40
▸ KCNH2 Q12809 2/20 0.40
▸ CCNC P24863 1/20 0.39
▸ CDK19 Q9BWU1 1/20 0.39
▸ AOC3 Q16853 1/20 0.38

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 SCHEMBL8828680 0.99 TNIK (0.40) TNIKSLC2A1SLC2A2SLC2A3CDK8
SCHEMBL8828545 0.87 — —
Hydrochloric Acid SCHEMBL8828707 0.87 — —
Hydrochloric Acid SCHEMBL8828746 0.87 NTSR1 (0.39) —
Hydrochloric Acid SCHEMBL8828629 0.86 HTR1A (0.40) —
SCHEMBL8828494 0.86 CDK8 (0.43) TNIKCDK8GPR6KCNH2
Hydrochloric Acid SCHEMBL8828701 0.86 — —
SCHEMBL8828461 0.85 HTR1A (0.47) —
Hydrochloric Acid SCHEMBL8828497 0.84 HTR1A (0.46) —
Hydrochloric Acid SCHEMBL8828569 0.81 GPR6 (0.39) GPR6

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-5688795-A URINARY TRACTS OBSTRUCTION SYNTEX (U.S.A.) INC. (US) 1997-11-18 — — US disclosed
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