SCHEMBL6485116

SCHEMBL6485116

FCCCCN1CC[N]CC1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
SIGMAR1 Q99720 2/20 0.38
KEAP1 Q14145 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
OPRM1 P35372 1/20 0.31

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
SCHEMBL6486783 0.93 SIGMAR1 (0.37) HRH3SIGMAR1KEAP1SMN1; SMN2ALOX15
SCHEMBL6487786 0.85 HRH3 (0.39) HRH3SIGMAR1SMN1; SMN2MAPT
SCHEMBL1886906 0.82
SCHEMBL1480820 0.78 KEAP1 (0.54) SIGMAR1KEAP1SMN1; SMN2ALOX15
SCHEMBL13692453 0.77
SCHEMBL13692574 0.77 HRH3 (0.65) HRH3SIGMAR1SMN1; SMN2MAPT
SCHEMBL651943 0.76 GNAO1 (0.52) SIGMAR1
SCHEMBL7513277 0.76 HRH3 (0.39) HRH3MAPT
SCHEMBL6485650 0.76 HRH3 (0.39) HRH3SMN1; SMN2MAPT
SCHEMBL6475492 0.76 HTR1A (0.31) SIGMAR1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962911-B2 Pyrrolopyrimidinone derivatives, process of preparation and use SK CHEMICALS CO., LTD. (KR) 2005-11-08 US disclosed
EP-1257553-B1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO LTD (KR) 2004-05-26 EP disclosed
EP-1257553-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK Chemicals Co., Ltd. (KR) 2002-11-20 EP disclosed
WO-2001060825-A1 PYRROLOPYRIMIDINONE DERIVATIVES, PROCESS OF PREPARATION AND USE SK CHEMICALS CO., LTD. (KR) 2001-08-23 WO disclosed