SCHEMBL8601438

SCHEMBL8601438

COc1ccc([C@H]2CCN(C)C[C@@H]2COc2ccc3c(c2)OCO3)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
CYP3A4 P08684 4/20 0.53
HTR1A P08908 3/20 0.53
SLC6A4 P31645 2/20 0.53
TP53 P04637 2/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2D6 P10635 2/20 0.53
GRK2 P25098 2/20 0.53
ALDH1A1 P00352 1/20 0.53
CYP2C9 P11712 1/20 0.53
HSD17B10 Q99714 1/20 0.53
NPC1 O15118 1/20 0.53
CACNA1F O60840 1/20 0.53
MPO P05164 1/20 0.53
ADRB2 P07550 1/20 0.53
CHRM2 P08172 1/20 0.53
CHRM4 P08173 1/20 0.53
ABCB1 P08183 1/20 0.53
CHRM5 P08912 1/20 0.53
ADORA3 P0DMS8 1/20 0.53

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
SCHEMBL8601442 1.00 L3MBTL1 (0.58) L3MBTL1CYP3A4HTR1ASLC6A4TP53
SCHEMBL19236199 0.91 L3MBTL1 (0.70) L3MBTL1CYP3A4HTR1ASLC6A4TP53
SCHEMBL7966834 0.91 L3MBTL1 (0.58) L3MBTL1CYP3A4HTR1ASLC6A4TP53
SCHEMBL9526894 0.91 L3MBTL1 (0.70) L3MBTL1CYP3A4HTR1ASLC6A4TP53
SCHEMBL7957720 0.91 L3MBTL1 (0.70) L3MBTL1CYP3A4HTR1ASLC6A4TP53
SCHEMBL30589885 0.91 L3MBTL1 (0.70) L3MBTL1CYP3A4HTR1ASLC6A4TP53
SCHEMBL7418991 0.86 L3MBTL1 (0.56) L3MBTL1CYP3A4HTR1ASLC6A4TP53
SCHEMBL7418988 0.86 L3MBTL1 (0.56) L3MBTL1CYP3A4HTR1ASLC6A4TP53
SCHEMBL8604024 0.85 L3MBTL1 (0.53) L3MBTL1CYP3A4HTR1ASLC6A4TP53
SCHEMBL8604020 0.85 L3MBTL1 (0.53) L3MBTL1CYP3A4HTR1ASLC6A4TP53

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0339579-B1 Piperidine compositions and their preparation and use NOVO NORDISK AS (DK) 1998-07-15 EP disclosed
US-5227379-A 1-Heterocycyl-4-phenyl substituted, calcium-channel antagonists NOVO NORDISK A/S (DK) 1993-07-13 US disclosed
US-5208232-A Anoxia, migraine; antiepileptic and antiischemic agents NOVO NORDISK A/S (DK) 1993-05-04 US disclosed
US-5158961-A Treatment of anoxia, migraine, ischemica and epilepsy NOVO NORDISK A/S (DK) 1992-10-27 US disclosed
US-5017585-A Piperidine compounds NOVO NORDISK A/S (DK) 1991-05-21 US disclosed