SCHEMBL9209572

SCHEMBL9209572

CCOC(=O)N1CCN(c2ccc(C(=O)O)cn2)CC1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.66
▸ HPGD P15428 1/20 0.66
▸ P2RY12 Q9H244 1/20 0.60
▸ USP30 Q70CQ3 2/20 0.58
▸ HRH3 Q9Y5N1 2/20 0.57
▸ RAB9A P51151 3/20 0.57
▸ KDM4E B2RXH2 2/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ALDH1A1 P00352 1/20 0.57
▸ TSHR P16473 1/20 0.57
▸ HTT P42858 1/20 0.57
▸ HSD17B10 Q99714 1/20 0.57
▸ NPSR1 Q6W5P4 2/20 0.52
▸ HDAC1 Q13547 1/20 0.52
▸ GAA P10253 3/20 0.51
▸ SMO Q99835 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL8291757 0.85 SMN1; SMN2 (0.70) SMN1; SMN2HPGDP2RY12USP30HRH3
SCHEMBL2428493 0.83 P2RY12 (0.72) SMN1; SMN2HPGDP2RY12USP30HRH3
SCHEMBL63484 0.83 CKS1B (0.58) SMN1; SMN2HPGDHRH3RAB9ANPC1
SCHEMBL7887534 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HPGDP2RY12USP30HRH3
SCHEMBL11937854 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HPGDP2RY12USP30HRH3
SCHEMBL8931657 0.83 SMN1; SMN2 (0.67) SMN1; SMN2HPGDP2RY12USP30RAB9A
SCHEMBL1859145 0.82 HRH3 (0.67) SMN1; SMN2HPGDHRH3RAB9AGAA
SCHEMBL2427846 0.81 P2RY12 (0.62) SMN1; SMN2HPGDP2RY12USP30HRH3
SCHEMBL8291092 0.81 SMN1; SMN2 (0.65) SMN1; SMN2HPGDP2RY12USP30HRH3
SCHEMBL11930058 0.81 SMN1; SMN2 (0.80) SMN1; SMN2HPGDP2RY12USP30HRH3

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
JP-2229162-A — — None — — JP disclosed
EP-0385351-B1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO (JP) 1995-01-11 — — EP disclosed
US-5025012-A Cardiovascular disorders; antiischemic agents NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-06-18 — — US disclosed
JP-H02229162-A NICOTINIC ACID OR ITS ESTER DERIVATIVE NISSHIN FLOUR MILLING CO LTD 1990-09-11 — — JP disclosed
EP-0385351-A1 Nicotinic acid derivatives and pharmaceutical compositions comprising same NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 — — EP disclosed
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