SCHEMBL9026296

SCHEMBL9026296

CC(C)C[C@H]1C(=O)N[C@@H](Cc2cn(C(=O)OCc3ccccc3)c3ccccc23)C(=O)N1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TACR3 P29371 1/20 0.42
TACR1 P25103 2/20 0.42
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.34

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
SCHEMBL9027493 0.87 TACR3 (0.43) TACR3TACR1KDM1AMAOARCOR1
SCHEMBL9025919 0.87 TACR3 (0.43) TACR3TACR1KDM1AMAOARCOR1
SCHEMBL9026652 0.87 TACR3 (0.47) TACR3TACR1KDM1AMAOARCOR1
SCHEMBL9026551 0.78 KMT2A (0.53)
SCHEMBL9027657 0.78 KMT2A (0.53)
SCHEMBL9026662 0.76 TACR3 (0.41) TACR3TACR1KDM1AMAOARCOR1
SCHEMBL8862717 0.73 MAPT (0.48) ABCG2
SCHEMBL9025971 0.72 CCKBR (0.38)
SCHEMBL9026142 0.72 CCKBR (0.38)
SCHEMBL9848971 0.72 CCKBR (0.38)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0411150-B1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMA CO LTD (JP) 1996-11-27 EP disclosed
US-5238938-A Nephrosis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-08-24 US disclosed
EP-0411150-A1 INDOLE DERIVATIVES, PREPARATION THEREOF, AND DRUG FOR PREVENTING AND TREATING NEPHRITIS CONTAINING SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-02-06 EP disclosed