SCHEMBL7965753

SCHEMBL7965753

CC(C)(C)c1ccc(OC[C@@H](O)CN2CCC(O)(c3cnc4ccccc4c3)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
MEN1 O00255 1/20 0.50
MAPT P10636 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
USP2 O75604 2/20 0.46
ALDH1A1 P00352 1/20 0.46
PRMT5 O14744 1/20 0.45
WDR77 Q9BQA1 1/20 0.45
ABCB1 P08183 6/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 3/20 0.42
GLA P06280 1/20 0.42
TSHR P16473 1/20 0.42

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
SCHEMBL7964903 0.91 CYP2D6 (0.51) KMT2ASMN1; SMN2PRMT5WDR77L3MBTL1
SCHEMBL7953344 0.90 KDM4E (0.53) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7966950 0.90 TSHR (0.56) KMT2AMEN1MAPTSMN1; SMN2USP2
SCHEMBL7969553 0.89 L3MBTL1 (0.55) KMT2AMEN1SMN1; SMN2PRMT5WDR77
SCHEMBL7953572 0.88 KMT2A (0.54) KMT2AMAPTSMN1; SMN2USP2ALDH1A1
SCHEMBL7966384 0.88 MAPT (0.53) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL7969310 0.88 L3MBTL1 (0.51) KMT2AMEN1SMN1; SMN2PRMT5WDR77
SCHEMBL7953454 0.88 PRMT5 (0.47) SMN1; SMN2USP2PRMT5WDR77ABCB1
SCHEMBL7965174 0.88 KMT2A (0.52) KMT2AMAPTSMN1; SMN2PRMT5WDR77
SCHEMBL7200720 0.88 SMN1; SMN2 (0.57) MAPTSMN1; SMN2USP2PRMT5WDR77

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