SCHEMBL6980285

SCHEMBL6980285

COc1ccccc1CSC1CCCCNC1[N]

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 5/20 0.42
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
HRH3 Q9Y5N1 2/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
GNAI3 P08754 1/20 0.38
QRFPR Q96P65 3/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 1/20 0.37
HSD11B1 P28845 1/20 0.36

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
SCHEMBL28104559 0.74 QRFPR (0.54) QRFPRMEN1KMT2ALMNA
SCHEMBL6980281 0.72 MEN1 (0.40) TACR1HRH3GNAI3QRFPRMEN1
SCHEMBL17979768 0.72 CHRNB4 (0.58) TACR1CHRNB4CHRNA3GNAI3
SCHEMBL18019869 0.72 CHRNB4 (0.58) TACR1CHRNB4CHRNA3GNAI3
SCHEMBL18019873 0.72 CHRNB4 (0.58) TACR1CHRNB4CHRNA3GNAI3
SCHEMBL10940416 0.71 HPGD (0.48) QRFPRMEN1KMT2A
SCHEMBL11471256 0.70 CHRNB4 (0.57) TACR1CHRNB4CHRNA3GNAI3LMNA
SCHEMBL7341529 0.67 IDO1 (0.55) MEN1KMT2A
SCHEMBL28403191 0.67 IDO1 (0.55) LMNA
SCHEMBL18019795 0.67 CHRNB4 (0.64) TACR1CHRNB4CHRNA3

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-0821674-B1 CYCLIC AMIDINO AGENTS USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS SEARLE & CO (US) 2003-08-06 EP claimed