SCHEMBL7953116

SCHEMBL7953116

CCc1ccc(OC[C@H](O)CN2CCC(c3cccnc3)CC2)cc1.O=S(=O)(O)c1cccc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
DRD4 P21917 6/20 0.44
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41
ADRB3 P13945 1/20 0.41
DRD2 P14416 2/20 0.41
CHRNA7 P36544 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7953114 0.85 ADRB3 (0.35) ADRB3KMT2A
SCHEMBL7953119 0.76 HTR7 (0.40) HTR7
SCHEMBL11603165 0.68 DRD4 (0.72) MAPTALDH1A1MAPK1DRD4HTR1A
SCHEMBL7953789 0.67 USP2 (0.56) MAPTMAPK1DRD4HTR1AHTR7
SCHEMBL7965929 0.67 HTR1A (0.62) HTR1A
Hydrochloric Acid SCHEMBL11602209 0.67 DRD4 (0.71) MAPTALDH1A1MAPK1HTTDRD4
Hydrochloric Acid SCHEMBL9750973 0.67 L3MBTL1 (0.74) DRD4DRD2CHRNA7MEN1KMT2A
SCHEMBL11881484 0.65 MAPK1 (0.74) MAPTALDH1A1MAPK1HTTSMN1; SMN2
SCHEMBL30987490 0.64 CYP11B2 (0.47) SMN1; SMN2HTR1AHTR7
Hydrochloric Acid SCHEMBL29686987 0.63 L3MBTL1 (0.67) DRD4DRD2CHRNA7MEN1KMT2A

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