SCHEMBL27660913

SCHEMBL27660913

CC(=O)N(C)c1cc(F)ccc1CN

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FSCN1 Q16658 1/20 0.39
DPP4 P27487 3/20 0.38
DPP9 Q86TI2 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
RIPK1 Q13546 3/20 0.38
TSPO P30536 3/20 0.36
MAOB P27338 1/20 0.35
MPO P05164 1/20 0.35
POLQ O75417 1/20 0.35
HTT P42858 1/20 0.34
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
IKBKB O14920 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
SCHEMBL2524320 0.83 RIPK1 (0.41) DPP4DPP9DPP8DPP7RIPK1
SCHEMBL20766756 0.79 MPO (0.41) RIPK1MPOIKBKB
SCHEMBL14048382 0.78 KEAP1 (0.46) FSCN1DPP4DPP9DPP8DPP7
SCHEMBL14115782 0.76 TSPO (0.47) FSCN1DPP4TSPOPOLQHTT
SCHEMBL24260342 0.75 FSCN1 (0.39) FSCN1TSPO
SCHEMBL7002940 0.74 FSCN1 (0.49) FSCN1RIPK1TSPOHTT
SCHEMBL19527708 0.73 HRH4 (0.41) FSCN1DPP4DPP9DPP8DPP7
SCHEMBL11933652 0.73 KEAP1 (0.43) DPP4DPP9DPP8DPP7RIPK1
SCHEMBL14067847 0.72 KMT2A (0.40) DPP9DPP8RIPK1MAOBMPO
Hydrochloric Acid SCHEMBL4772671 0.71 KMT2A (0.39) RIPK1MPOHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1989141-B Bicyclic heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO 2010-06-16 CN disclosed
CN-1989141-A Bicyclic heterocycles as HIV integrase inhibitors BRISTOL MYERS SQUIBB CO (US) 2007-06-27 CN disclosed