SCHEMBL7965174

SCHEMBL7965174

O[C@H](COc1ccc(Cl)cc1)CN1CCC(O)(c2cnc3ccccc3c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
KCNH2 Q12809 5/20 0.51
CACNA1G O43497 3/20 0.51
RECQL P46063 1/20 0.50
DRD4 P21917 1/20 0.49
MAPT P10636 2/20 0.48
MAPK1 P28482 2/20 0.48
NLRP3 Q96P20 1/20 0.48
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OPRL1 P41146 1/20 0.45
ABCB1 P08183 2/20 0.45

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
SCHEMBL7969553 0.92 L3MBTL1 (0.55) KMT2ADRD4PRMT5WDR77L3MBTL1
SCHEMBL7953572 0.90 KMT2A (0.54) KMT2AMAPTMAPK1PRMT5WDR77
SCHEMBL7953344 0.90 KDM4E (0.53) KMT2ACACNA1GDRD4MAPTMAPK1
SCHEMBL7969310 0.90 L3MBTL1 (0.51) KMT2ADRD4PRMT5WDR77L3MBTL1
SCHEMBL7966950 0.90 TSHR (0.56) KMT2AMAPTPRMT5WDR77L3MBTL1
SCHEMBL7953454 0.90 PRMT5 (0.47) PRMT5WDR77L3MBTL1SMN1; SMN2ABCB1
SCHEMBL7200720 0.90 SMN1; SMN2 (0.57) MAPTMAPK1PRMT5WDR77SMN1; SMN2
SCHEMBL27193282 0.90 SMN1; SMN2 (0.57) MAPTMAPK1PRMT5WDR77SMN1; SMN2
SCHEMBL7966384 0.89 MAPT (0.53) KMT2AMAPTMAPK1PRMT5WDR77
SCHEMBL7964392 0.88 CYP1A2 (0.58) KMT2AMAPTSMN1; SMN2ABCB1

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