SCHEMBL9130493

SCHEMBL9130493

Cc1ccc2ncc(C(=O)NC3CCCC3)c(=O)n2c1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.56
GPR55 Q9Y2T6 1/20 0.56
TP53 P04637 1/20 0.56
KDM4E B2RXH2 1/20 0.55
GLA P06280 1/20 0.55
GAA P10253 1/20 0.55
POLB P06746 1/20 0.54
RXFP1 Q9HBX9 2/20 0.53
THRB P10828 1/20 0.53

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
SCHEMBL9130281 0.82 ALDH1A1 (0.62) CNR1GPR55TP53KDM4EGLA
SCHEMBL9389088 0.81 POLB (0.47) CNR1GPR55TP53KDM4EGLA
SCHEMBL21083377 0.79 TGFBR1 (0.60) CNR1GPR55TP53
SCHEMBL9130173 0.78 RXFP1 (0.66) TP53KDM4EGLAGAAPOLB
SCHEMBL24345093 0.77 ALDH1A1 (0.48) CNR1GPR55TP53KDM4EGAA
SCHEMBL199891 0.76 GAA (0.68) TP53KDM4EGLAGAAPOLB
SCHEMBL9132837 0.76 ALDH1A1 (0.50) CNR1TP53KDM4EGAAPOLB
SCHEMBL9130840 0.75 ALDH1A1 (0.49) CNR1TP53KDM4EGLAGAA
SCHEMBL9128569 0.75 TP53 (0.60) GPR55TP53KDM4EGAARXFP1
Hydrochloric Acid SCHEMBL9129366 0.75 ALDH1A1 (0.49) CNR1TP53KDM4EGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5387588-A Antiulcer agents CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1995-02-07 US disclosed
US-5252572-A Antiulcer agent CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYARA RT. (HU) 1993-10-12 US disclosed
US-5158951-A Pyridopyrimidine derivatives useful in treatment of ulcers CHINOIN GYOGYSZER- ES VEGYESZETI TERMEKEK GYAR RT. (HU) 1992-10-27 US disclosed