SCHEMBL11068167

SCHEMBL11068167

CC(=O)C1(c2ccccc2)CCN(CC(O)COc2ccc3c(c2)N(Cc2ccccc2)C(=O)CC3)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ALDH1A1 P00352 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HTR7 P34969 1/20 0.44
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL11071377 0.87
SCHEMBL10578077 0.82 HTR7 (0.63) ALDH1A1L3MBTL1HTR7LMNAADRB3
SCHEMBL11072960 0.81 KCNH2 (0.51) HTR7LMNAGAAPKM
SCHEMBL11068145 0.80 KCNH2 (0.49)
SCHEMBL11066226 0.80 DRD4 (0.62) TSHRPOLBGAA
SCHEMBL11060233 0.77 CHRM1 (0.50)
SCHEMBL10568516 0.74 HTR7 (0.50) ALDH1A1HTR7LMNA
SCHEMBL10570453 0.73 MAPT (0.60) HSD17B10ALDH1A1HTR7LMNAADRB3
SCHEMBL11063819 0.73 CHRM2 (0.46)
SCHEMBL11065197 0.73 DRD4 (0.52)

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-4482560-A Carbostyril derivatives, and antihistaminic agents containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1984-11-13 US disclosed