SCHEMBL7966355

SCHEMBL7966355

CCCCCCC(=O)OC1(c2cnc3ccccc3n2)CCN(C[C@@H](O)COc2ccc(Oc3ccccc3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
HIF1A Q16665 1/20 0.39
ABCB1 P08183 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR7 P34969 2/20 0.39
POLB P06746 1/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
ALOX15 P16050 1/20 0.38

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
Heptanoate SCHEMBL7966354 0.71 LTA4H (0.38) L3MBTL1KDM4EMEN1LMNAKMT2A
SCHEMBL7962698 0.70 L3MBTL1 (0.46) L3MBTL1KDM4EMAPK1CYP2D6TSHR
SCHEMBL7969310 0.69 L3MBTL1 (0.51) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL7966053 0.68 MAPT (0.36) KDM4ELMNAHTR7POLBALDH1A1
SCHEMBL7962210 0.68 TP53 (0.56) L3MBTL1KDM4EMAPK1TSHRMEN1
SCHEMBL13898527 0.66 L3MBTL1 (0.63) L3MBTL1KDM4ECYP2D6TSHRHIF1A
SCHEMBL19017558 0.65 KDM4E (0.58) KDM4EMEN1LMNAKMT2AMAPT
SCHEMBL17991054 0.65 KDM4E (0.58) KDM4EMEN1LMNAKMT2AMAPT
SCHEMBL7962746 0.65 SMN1; SMN2 (0.47) L3MBTL1KDM4EMAPK1NPSR1POLB
SCHEMBL7969553 0.65 L3MBTL1 (0.55) L3MBTL1KDM4ECYP2D6TSHRHIF1A

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