SCHEMBL7968936

SCHEMBL7968936

CSc1ccccc1OC[C@@H](O)CN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 11/20 0.52
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
LMNA P02545 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
USP2 O75604 1/20 0.41
HTT P42858 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAPT P10636 3/20 0.40
TDP1 Q9NUW8 3/20 0.40
HTR1A P08908 2/20 0.40
DRD2 P14416 2/20 0.40
HTR2A P28223 2/20 0.40
DRD3 P35462 2/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 2/20 0.39

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
SCHEMBL7953962 0.88 ABCB1 (0.54) ABCB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7969773 0.86 ABCB1 (0.47) ABCB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7966028 0.85 ABCB1 (0.54) ABCB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7965198 0.85 PRMT5 (0.45) ABCB1MEN1KMT2ASMN1; SMN2PRMT5
SCHEMBL7968938 0.84 OPRL1 (0.38) ABCB1MEN1KMT2ALMNAALDH1A1
SCHEMBL7969553 0.83 L3MBTL1 (0.55) ABCB1MEN1KMT2ASMN1; SMN2PRMT5
SCHEMBL7968932 0.83 OPRM1 (0.35) ABCB1HTR1ADRD2HTR2ADRD3
SCHEMBL7953297 0.83 LMNA (0.55) ABCB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7953344 0.82 KDM4E (0.53) ABCB1MEN1KMT2ALMNASMN1; SMN2
SCHEMBL7966950 0.82 TSHR (0.56) ABCB1MEN1KMT2ASMN1; SMN2PRMT5

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