SCHEMBL17763398

SCHEMBL17763398

C[N+](C)(CC(O)COc1ccccc1)NC(=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADRB1 P08588 3/20 0.48
▸ ADRB3 P13945 3/20 0.48
▸ CYP2D6 P10635 2/20 0.48
▸ ADRB2 P07550 2/20 0.48
▸ MAPT P10636 3/20 0.46
▸ ABCB1 P08183 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ LMNA P02545 2/20 0.45
▸ MTNR1A P48039 3/20 0.44
▸ MTNR1B P49286 3/20 0.44
▸ POLB P06746 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ DPP4 P27487 1/20 0.44

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
SCHEMBL17763381 0.91 ALDH1A1 (0.60) ADRB1ADRB3CYP2D6ADRB2MAPT
SCHEMBL17763380 0.89 PRSS1 (0.45) ADRB1ADRB3CYP2D6ADRB2MAPT
SCHEMBL17763402 0.89 ALDH1A1 (0.44) ADRB1ADRB3CYP2D6ADRB2MAPT
SCHEMBL17763340 0.87 MEN1 (0.61) ADRB1ADRB3ADRB2MAPTALDH1A1
SCHEMBL6291619 0.75 MAPT (0.51) ADRB1ADRB3CYP2D6ADRB2MAPT
SCHEMBL2277722 0.75 ABCB1 (0.67) CYP2D6MAPTABCB1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL1702139 0.74 ABCB1 (0.65) CYP2D6MAPTABCB1ALDH1A1SMN1; SMN2
Water SCHEMBL8631908 0.74 ABCB1 (0.65) CYP2D6MAPTABCB1ALDH1A1SMN1; SMN2
Water SCHEMBL51537 0.73 ABCB1 (0.64) CYP2D6MAPTABCB1ALDH1A1SMN1; SMN2
SCHEMBL2614661 0.73 MAPT (0.44) ADRB1ADRB3CYP2D6ADRB2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3081612-B1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO LTD (JP) 2018-11-14 — — EP disclosed
US-9718999-B2 Photocurable composition having adhesive properties CEMEDINE CO., LTD (JP) 2017-08-01 — — US disclosed
US-20160312089-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES CEMEDINE CO., LTD. (JP) 2016-10-27 — — US disclosed
EP-3081612-A1 PHOTOCURABLE COMPOSITION HAVING ADHESIVE PROPERTIES Cemedine Co., Ltd. (JP) 2016-10-19 — — EP disclosed
US-20160152783-A1 PHOTOCURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2016-06-02 — — US disclosed
EP-3023462-A1 PHOTOCURABLE COMPOSITION Cemedine Co., Ltd. (JP) 2016-05-25 — — EP disclosed
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