SCHEMBL7953572

SCHEMBL7953572

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

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.54
MAPT P10636 3/20 0.53
LMNA P02545 2/20 0.53
ALDH1A1 P00352 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 2/20 0.49
GAA P10253 1/20 0.49
HTT P42858 1/20 0.49
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 0.46
ABCB1 P08183 4/20 0.46
KDM4E B2RXH2 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
GLA P06280 1/20 0.43
USP2 O75604 1/20 0.43
TSHR P16473 1/20 0.43

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) KMT2AMAPTLMNAALDH1A1SMN1; SMN2
SCHEMBL7966950 0.90 TSHR (0.56) KMT2AMAPTSMN1; SMN2PRMT5WDR77
SCHEMBL7965174 0.90 KMT2A (0.52) KMT2AMAPTLMNASMN1; SMN2MAPK1
SCHEMBL27193282 0.90 SMN1; SMN2 (0.57) MAPTSMN1; SMN2MAPK1HTTPRMT5
SCHEMBL7200720 0.90 SMN1; SMN2 (0.57) MAPTSMN1; SMN2MAPK1HTTPRMT5
SCHEMBL7969553 0.90 L3MBTL1 (0.55) KMT2ASMN1; SMN2PRMT5WDR77ABCB1
SCHEMBL7966384 0.89 MAPT (0.53) KMT2AMAPTALDH1A1SMN1; SMN2MAPK1
SCHEMBL7953454 0.89 PRMT5 (0.47) SMN1; SMN2PRMT5WDR77ABCB1KDM4E
SCHEMBL7969310 0.89 L3MBTL1 (0.51) KMT2ASMN1; SMN2PRMT5WDR77ABCB1
SCHEMBL7965753 0.88 KMT2A (0.50) KMT2AMAPTALDH1A1SMN1; 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