SCHEMBL7793970

SCHEMBL7793970

CCCC/C=C/N1CCCC1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.41
FAAH O00519 1/20 0.41
PIK3CD O00329 1/20 0.37
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
ALOX5 P09917 2/20 0.35
LMNA P02545 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA13 Q8N1Q1 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
TSHR P16473 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
SCHEMBL5814341 1.00 MGLL (0.41) MGLLFAAHPIK3CDBRD4BRD2
SCHEMBL7059780 1.00 MGLL (0.41) MGLLFAAHPIK3CDBRD4BRD2
SCHEMBL7794085 0.95 FAAH (0.46) MGLLFAAHPIK3CDALOX5
SCHEMBL7794084 0.95 FAAH (0.46) MGLLFAAHPIK3CDALOX5
SCHEMBL7803803 0.93 FAAH (0.45) MGLLFAAHALOX5TSHR
SCHEMBL18935700 0.93 FAAH (0.45) MGLLFAAHALOX5TSHR
SCHEMBL18935701 0.93 FAAH (0.45) MGLLFAAHALOX5TSHR
SCHEMBL7803804 0.93 FAAH (0.45) MGLLFAAHALOX5TSHR
SCHEMBL5800684 0.93 FAAH (0.39) MGLLFAAHPIK3CD
SCHEMBL7799654 0.89 PIK3CD (0.39) MGLLFAAHPIK3CDBRD4BRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5371238-A Reacting 1-/n-alkenyl/-azacycloalkan-2-one with alkyl mercaptan using free radical initiator, reducing, distilling to purify HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1994-12-06 US claimed
EP-0555483-B1 PROCESS FOR PRODUCING AZACYCLOALKANE DERIVATIVE HISAMITSU PHARMACEUTICAL CO (JP) 2001-02-28 EP disclosed
US-5371238-A Reacting 1-/n-alkenyl/-azacycloalkan-2-one with alkyl mercaptan using free radical initiator, reducing, distilling to purify HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1994-12-06 US disclosed
EP-0555483-A1 PROCESS FOR PRODUCING AZACYCLOALKANE DERIVATIVE Hisamitsu Pharmaceutical Co., Inc. (JP) 1993-08-18 EP disclosed
US-3975534-A Pharmaceutical compositions useful for treating tick infestation in animals which contain 2-aryliminopyrrolidines or their salts as the active agent BAYER AKTIENGESELLSCHAFT (DT) 1976-08-17 US disclosed