SCHEMBL7963779

SCHEMBL7963779

CC(C)c1ccc(OC[C@H](CN2CCC(c3cnc4ccccc4n3)CC2)OC(=O)C(O)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 1/20 0.41
TP53 P04637 1/20 0.39
KMT2A Q03164 2/20 0.39
AKT1 P31749 3/20 0.38
AKT2 P31751 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
CHRNA7 P36544 1/20 0.36
SLC18A3 Q16572 1/20 0.36
JAK2 O60674 1/20 0.35
PAX8 Q06710 1/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7963780 0.83 AKT1 (0.37) MAPTLMNATP53KMT2AAKT1
Mandelic Acid SCHEMBL7963777 0.79 MAPT (0.38) MAPTLMNAALDH1A1TP53KMT2A
SCHEMBL23442934 0.69 AKT1 (0.44) MAPTLMNAALDH1A1TP53KMT2A
SCHEMBL25171674 0.64 HDAC4 (0.49) LMNAALDH1A1TP53AKT1AKT2
SCHEMBL24163550 0.62 KMT2A (0.84) MAPTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL7953572 0.61 KMT2A (0.54) MAPTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL29891579 0.61 HPGDS (0.53) TP53KMT2APOLBMEN1
Maleic Acid SCHEMBL7967347 0.60 DRD4 (0.53)
SCHEMBL20444530 0.58 KMT2A (0.76) MAPTLMNAALDH1A1KMT2ASMN1; SMN2
SCHEMBL20437921 0.58 KMT2A (0.94) MAPTLMNAALDH1A1KMT2AMAPK1

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-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed