SCHEMBL7966503

SCHEMBL7966503

COc1cccc(OC)c1OCCCN1CCC(OC(=O)C(=O)OC2(c3cnc4ccccc4c3)CCN(CCCOc3c(OC)cccc3OC)CC2)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
CYP2D6 P10635 2/20 0.45
TSHR P16473 1/20 0.45
ALDH1A1 P00352 3/20 0.44
CYP1A2 P05177 1/20 0.44
KDM4E B2RXH2 1/20 0.43
HTR7 P34969 4/20 0.42
HTR2A P28223 3/20 0.41
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
POLB P06746 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
IGF1R P08069 1/20 0.41
HTR1A P08908 1/20 0.41
HTR2C P28335 1/20 0.41
FAAH O00519 1/20 0.41
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 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
SCHEMBL7966346 0.86 CYP2D6 (0.49) MEN1KMT2ACYP2D6TSHRALDH1A1
Oxalic Acid SCHEMBL7966500 0.86 KMT2A (0.52) MEN1KMT2ACYP2D6TSHRALDH1A1
SCHEMBL7966533 0.85 KDM4E (0.47) MEN1KMT2AALDH1A1KDM4EHTR2A
SCHEMBL7965014 0.81 OPRM1 (0.43) MEN1KMT2ATSHRALDH1A1KDM4E
Oxalic Acid SCHEMBL7966526 0.71 KDM4E (0.54) MEN1KMT2AALDH1A1KDM4EHTR7
SCHEMBL7965519 0.70 ALDH1A1 (0.51) MEN1KMT2ACYP2D6ALDH1A1CYP1A2
SCHEMBL7962754 0.70 ALDH1A1 (0.56) MEN1KMT2AALDH1A1KDM4EHTR7
SCHEMBL7964899 0.69 ALDH1A1 (0.50) MEN1KMT2ACYP2D6TSHRALDH1A1
SCHEMBL7970239 0.68 GAA (0.43) MEN1KMT2AKDM4EPOLB
SCHEMBL7953964 0.68 HTR1A (0.40) MEN1KMT2AALDH1A1HTR7HTR2A

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
EP-0976746-A1 5-HT1F antagonists ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed
EP-0976747-A2 Use of 5HT-1F receptor antagonists for treating anxiety disorders ELI LILLY AND COMPANY (US) 2000-02-02 EP disclosed