SCHEMBL7953258

SCHEMBL7953258

CCn1ccc2c(OC[C@H](O)CN3CCC(c4cccnc4)CC3)ccc(C(F)(F)F)c21

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.40
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
HTR1A P08908 8/20 0.39
HTR7 P34969 1/20 0.39
KCNH2 Q12809 2/20 0.38
SCN1A P35498 1/20 0.38
SCN5A Q14524 1/20 0.38
SCN9A Q15858 1/20 0.38
LMNA P02545 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
SLC6A4 P31645 2/20 0.36

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
SCHEMBL7953261 0.84 GRM2 (0.35) SLC18A3KCNH2
SCHEMBL7953252 0.84 CCR2 (0.35) KCNH2
SCHEMBL7965929 0.74 HTR1A (0.62) HTR1ASLC6A4
SCHEMBL30987490 0.68 CYP11B2 (0.47) SLC18A3HTR1AHTR7
SCHEMBL13842724 0.66 CYP11B2 (0.57) LMNA
SCHEMBL7887638 0.65 HTR1A (0.65) HTR1ASLC6A4
SCHEMBL7953116 0.64 MAPT (0.47) ADRB2ADRB1ADRB3HTR1AHTR7
SCHEMBL7881056 0.64 HTR1A (0.64) HTR1ASLC6A4
SCHEMBL11603165 0.64 DRD4 (0.72) ADRB1HTR1AKCNH2LMNASLC6A4
Hydrochloric Acid SCHEMBL11602209 0.63 DRD4 (0.71) KCNH2LMNA

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