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SCHEMBL9943288

SCHEMBL9943288

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)NCc1ccccc1)c1ccc(Br)cc1Br

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MC5R P33032 11/20 0.46
▸ MC3R P41968 11/20 0.45
▸ MC4R P32245 8/20 0.45
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ CDK2 P24941 2/20 0.42
▸ CDK4 P11802 2/20 0.42
▸ CCND1 P24385 2/20 0.42

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
SCHEMBL9943326 0.93 MC5R (0.46) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943336 0.92 MC5R (0.48) MC5RMC3RMC4RLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9943307 0.91 MC5R (0.48) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943315 0.89 GOT1 (0.44) MC5RMC3RMC4RSMN1; SMN2CDK2
SCHEMBL9943349 0.89 MC5R (0.49) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943313 0.88 MC5R (0.48) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL2790032 0.85 GOT1 (0.44) MC5RMC3RMC4RCDK4CCND1
SCHEMBL9943298 0.84 SOS1 (0.45) MC5RMC3RMC4RSMN1; SMN2CDK4
SCHEMBL9943341 0.83 HTR1A (0.48) MC5RMC4RLMNASMN1; SMN2CDK4
SCHEMBL9943285 0.83 SLC6A4 (0.44) LMNACDK4CCND1

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-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 — — EP claimed
EP-2099815-B1 NOVEL AMIDES ACTING ON THE ADENOSINE RECEPTORS ANAMAR AB (SE) 2012-06-20 — — EP disclosed