SCHEMBL9943326

SCHEMBL9943326

NCCC(=O)N(CCc1c[nH]c2ccccc12)C(C(=O)NCc1ccccc1)c1cc(Br)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC5R P33032 10/20 0.46
MC3R P41968 10/20 0.45
MC4R P32245 7/20 0.45
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ITGB2 P05107 1/20 0.42
ICAM1 P05362 1/20 0.42
ITGAL P20701 1/20 0.42
CDK2 P24941 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
SCHEMBL9943288 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
SCHEMBL9943323 0.89 GOT1 (0.44) MC5RMC3RMC4RSMN1; SMN2ITGB2
SCHEMBL9943349 0.89 MC5R (0.49) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943313 0.88 MC5R (0.48) MC5RMC3RMC4RLMNASMN1; SMN2
SCHEMBL9943291 0.84 SOS1 (0.45) MC5RMC3RMC4RHDAC3HDAC4
SCHEMBL9943341 0.83 HTR1A (0.48) MC5RMC4RHDAC3HDAC4HDAC1
SCHEMBL9943285 0.83 SLC6A4 (0.44) LMNACDK4CCND1
SCHEMBL9943315 0.83 GOT1 (0.44) MC5RMC3RMC4RSMN1; SMN2ITGB2

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