SCHEMBL14899781

SCHEMBL14899781

CC1(COc2c(N3CCNCC3)cnn(-c3cccc(O)c3)c2=O)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPBWR1 P48145 6/20 0.35
▸ MCHR1 Q99705 5/20 0.35
▸ HTR5A P47898 1/20 0.34
▸ POLB P06746 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RAB9A P51151 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ PIM1 P11309 2/20 0.34
▸ PIM3 Q86V86 2/20 0.34
▸ PIM2 Q9P1W9 2/20 0.34
▸ MAPT P10636 1/20 0.33
▸ HTR6 P50406 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ PPARG P37231 1/20 0.33

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
SCHEMBL4131820 0.90 NPBWR1 (0.45) NPBWR1MCHR1HTR5APOLBSMN1; SMN2
SCHEMBL14081477 0.90 NPBWR1 (0.44) NPBWR1MCHR1SMN1; SMN2NPC1RAB9A
Hydrochloric Acid SCHEMBL4137286 0.89 NPBWR1 (0.45) NPBWR1MCHR1HTR5APOLBSMN1; SMN2
SCHEMBL17057895 0.88 RAB9A (0.44) NPBWR1MCHR1POLBSMN1; SMN2NPC1
SCHEMBL14899875 0.88 NPBWR1 (0.39) NPBWR1MCHR1POLBSMN1; SMN2NPC1
SCHEMBL14899899 0.83 USP2 (0.35) MCHR1LMNAKMT2AALDH1A1HTR6
SCHEMBL14899777 0.80 NPBWR1 (0.32) NPBWR1POLBSMN1; SMN2LMNAKMT2A
SCHEMBL14899880 0.80 TP53 (0.42) NPBWR1MCHR1HTR6
SCHEMBL14081038 0.79 TP53 (0.48) NPBWR1MCHR1POLBSMN1; SMN2LMNA
SCHEMBL11946412 0.79 POLB (0.43) NPBWR1MCHR1POLBLMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2586778-A2 Pyridazinone derivatives useful as glucan synthase inhibitors Merck Sharp & Dohme Corp. (US) 2013-05-01 — — EP disclosed
Send feedback