SCHEMBL7966384

SCHEMBL7966384

CCc1ccc(OC[C@@H](O)CN2CCC(O)(c3cnc4ccccc4c3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
ABCB1 P08183 4/20 0.46
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
HTR7 P34969 1/20 0.46
HTR1A P08908 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
ALOX15 P16050 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
HSP90AB1 P08238 1/20 0.44

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
SCHEMBL7953344 0.90 KDM4E (0.53) MAPTKMT2AMEN1ABCB1PRMT5
SCHEMBL7966950 0.90 TSHR (0.56) MAPTKMT2AMEN1ABCB1PRMT5
SCHEMBL7969553 0.90 L3MBTL1 (0.55) KMT2AMEN1ABCB1PRMT5WDR77
SCHEMBL7953572 0.89 KMT2A (0.54) MAPTKMT2AABCB1PRMT5WDR77
SCHEMBL7965174 0.89 KMT2A (0.52) MAPTKMT2AABCB1PRMT5WDR77
SCHEMBL7969310 0.89 L3MBTL1 (0.51) KMT2AMEN1ABCB1PRMT5WDR77
SCHEMBL7953454 0.89 PRMT5 (0.47) ABCB1PRMT5WDR77HTR1ASMN1; SMN2
SCHEMBL27193282 0.88 SMN1; SMN2 (0.57) MAPTABCB1PRMT5WDR77SMN1; SMN2
SCHEMBL7200720 0.88 SMN1; SMN2 (0.57) MAPTABCB1PRMT5WDR77SMN1; SMN2
SCHEMBL7953359 0.88 PRMT5 (0.45) MAPTABCB1PRMT5WDR77SMN1; SMN2

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