SCHEMBL6236536

SCHEMBL6236536

Cc1ccc(C)c(NC(=O)CN2CC=CC=C2C2=CCNCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
POLB P06746 4/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
ANXA2 P07355 1/20 0.39
S100A10 P60903 1/20 0.39
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL6800083 0.85 HTR6 (0.38) MAPTPOLBALDH1A1MEN1GAA
SCHEMBL7098810 0.82 DRD4 (0.35) MAPTPOLBALDH1A1NPC1MEN1
SCHEMBL6793606 0.79 MAPKAPK2 (0.45) MAPTPOLBLMNATP53ALDH1A1
SCHEMBL6805208 0.78 MEN1 (0.40) MAPTPOLBLMNAKDM4EMEN1
SCHEMBL6212034 0.69 CYP1A2 (0.41) MAPTTP53ALDH1A1MEN1GAA
SCHEMBL6799151 0.67 TDP1 (0.39) MAPTPOLBTP53ALDH1A1HTT
SCHEMBL2998036 0.66 HTT (0.58) MAPTPOLBLMNATP53ANXA2
SCHEMBL2009980 0.66 MEN1 (0.72) POLBLMNAALDH1A1HTTHDAC3
SCHEMBL6786592 0.65 HTR2C (0.36) MAPTALDH1A1KDM4E
SCHEMBL6800731 0.64 HTR2C (0.46) POLBTP53ALDH1A1MEN1KMT2A

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-1509213-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION Abbott Laboratories (US) 2005-03-02 EP disclosed
WO-2003099266-A2 ACETAMIDES AND BENZAMIDES THAT ARE USEFUL IN TREATING SEXUAL DYSFUNCTION ABBOTT LABORATORIES (US) 2003-12-04 WO disclosed