SCHEMBL8701048

SCHEMBL8701048

CCc1cc(NC(=O)N2CCN(c3cc(OC)ccc3C)CC2)c(OC)nc1C

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
MAPT P10636 8/20 0.46
LMNA P02545 3/20 0.46
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 2/20 0.46
PI4KB Q9UBF8 1/20 0.43
KMT2A Q03164 2/20 0.43
POLB P06746 1/20 0.42
HTT P42858 2/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GAA P10253 1/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1B P49286 1/20 0.41
RBP4 P02753 1/20 0.41
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL8701376 0.91 RBP4 (0.48) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL6961499 0.90 MAPT (0.48) THRBMAPTLMNAALDH1A1TSHR
SCHEMBL8702748 0.90 RBP4 (0.45) THRBMAPTLMNAALDH1A1TSHR
SCHEMBL8703704 0.90 RBP4 (0.52) THRBMAPTALDH1A1MAPK1KMT2A
SCHEMBL8705064 0.88 HTR1A (0.52) THRBMAPTLMNAALDH1A1TSHR
SCHEMBL8703304 0.87 MAPT (0.55) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL6960671 0.86 KMT2A (0.47) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL8700061 0.85 MAPT (0.57) MAPTLMNAALDH1A1TSHRMAPK1
SCHEMBL9057828 0.85 MAPT (0.53) MAPTLMNAALDH1A1MAPK1KMT2A
SCHEMBL8700940 0.83 RBP4 (0.61) MAPTLMNAALDH1A1MAPK1KMT2A

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
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed