SCHEMBL7953787

SCHEMBL7953787

Cc1ccc(OCCC(O)N2CCC(c3cncc4ccccc34)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
LMNA P02545 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MAPT P10636 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNA5 P22460 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
SCHEMBL7953789 0.80 USP2 (0.56) KDM4ELMNAMAPTMAPK1MEN1
SCHEMBL7953790 0.78 DRD2 (0.42) KDM4ELMNASMN1; SMN2MAPTALDH1A1
SCHEMBL7964956 0.78 HTR1A (0.47) SLC6A4
SCHEMBL7963097 0.70 HRH3 (0.36) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL8145712 0.69 DRD2 (0.48) MEN1KMT2ADRD2SLC6A4
SCHEMBL7965447 0.69 HRH3 (0.36) KDM4ESMN1; SMN2MAPTHPGDMAPK1
SCHEMBL7962994 0.68 DRD2 (0.38) CYP2D6DRD3DRD2SLC6A4
SCHEMBL7966948 0.68 OPRM1 (0.39) KDM4ELMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL13728399 0.67 CYP11B2 (0.42) KDM4ELMNACYP3A4KMT2AKDM1A
Acrylic Acid SCHEMBL7963757 0.67 ALDH1A1 (0.38) LMNASMN1; SMN2MAPTALDH1A1MAPK1

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
US-6242450-B1 SUBSTITUTED PIPERIDINES ELI LILLY AND COMPANY 2001-06-05 US disclosed
WO-2000006166-A1 5-HT1F ANTAGONISTS ELI LILLY AND COMPANY (US) 2000-02-10 WO disclosed
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed