SCHEMBL7953789

SCHEMBL7953789

Cc1ccc(OC[C@@H](O)CN2CCC(c3cncc4ccccc34)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.56
TSHR P16473 1/20 0.56
MAPT P10636 3/20 0.53
DRD4 P21917 5/20 0.52
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
KDM4E B2RXH2 1/20 0.51
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
RECQL P46063 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
CHRNA7 P36544 1/20 0.50
HTR1A P08908 2/20 0.49
HTR7 P34969 2/20 0.49
MAPK1 P28482 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL7953790 0.80 DRD2 (0.42) MAPTDRD4MEN1KMT2AKDM4E
SCHEMBL7953787 0.80 KDM4E (0.37) USP2TSHRMAPTDRD4MEN1
SCHEMBL7964959 0.78 HTR1A (0.69) HTR1A
SCHEMBL22639941 0.75 KMT2A (0.89) USP2TSHRMAPTDRD4MEN1
SCHEMBL22639939 0.75 KMT2A (0.89) USP2TSHRMAPTDRD4MEN1
SCHEMBL4579320 0.74 USP2 (1.00) USP2TSHRMAPTMEN1KMT2A
SCHEMBL8145712 0.73 DRD2 (0.48) MEN1KMT2AHTR1AHTR7DRD2
SCHEMBL12577241 0.73 DRD4 (0.84) USP2TSHRMAPTDRD4MEN1
SCHEMBL22639925 0.72 TSHR (0.88) USP2TSHRMAPTKMT2AKDM4E
SCHEMBL10200142 0.72 TSHR (0.88) USP2TSHRMAPTKMT2AKDM4E

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