SCHEMBL9770102

SCHEMBL9770102

CC(=O)C1(C#N)Cc2ccccc2C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.40
NOTUM Q6P988 3/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
HDAC9 Q9UKV0 1/20 0.36
GAA P10253 1/20 0.35
MME P08473 1/20 0.35
ALDH1A1 P00352 2/20 0.34
PTK2B Q14289 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTT P42858 1/20 0.33
HSD17B3 P37058 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
SCHEMBL9770183 0.77 DPP4 (0.37) DPP4HDAC9GAAMMEALDH1A1
SCHEMBL6183360 0.76 BRD4 (0.48) NOTUMGAAALDH1A1L3MBTL1HTT
SCHEMBL30645248 0.73 NOTUM (0.45) NOTUMHDAC9ALDH1A1KMT2APOLB
SCHEMBL8078233 0.73 NOTUM (0.45) NOTUMHDAC9ALDH1A1KMT2APOLB
SCHEMBL8114506 0.71 NOTUM (0.43) NOTUMHDAC9ALDH1A1POLBL3MBTL1
SCHEMBL13127862 0.71 CXCR5 (0.43) NOTUMHDAC9
SCHEMBL18584167 0.70
SCHEMBL18588374 0.70
SCHEMBL12571286 0.69 NOTUM (0.42) NOTUMHDAC9ALDH1A1KMT2APOLB
SCHEMBL8243032 0.69

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
EP-0247764-B1 4(5)-SUBSTITUTED IMIDAZOLE DERIVATIVES, AND INTERMEDIATES AND PROCESSES FOR THEIR PREPARATION ORION-YHTYMÀ„ OY (FI) 1991-08-14 EP disclosed
US-5026868-A Alpha-2 receptor antagonists FARMOS-YHTYMA OY (FI) 1991-06-25 US disclosed
US-4933359-A 4(5)-substituted imidazole derivatives as α2 -adrenergic receptor blockers FARMOS-YHTYMA OY (FI) 1990-06-12 US disclosed
EP-0247764-A1 4(5)-Substituted imidazole derivatives, and intermediates and processes for their preparation ORION-YHTYMÀ„ OY (FI) 1987-12-02 EP disclosed