SCHEMBL7799654

SCHEMBL7799654

CCC/C=C/N1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.39
BRD4 O60885 1/20 0.38
BRD2 P25440 1/20 0.38
TSHR P16473 2/20 0.34
LMNA P02545 3/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34
CA9 Q16790 1/20 0.34
CA13 Q8N1Q1 1/20 0.34
CA14 Q9ULX7 1/20 0.34
CA5B Q9Y2D0 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 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
SCHEMBL7799656 1.00 PIK3CD (0.39) PIK3CDBRD4BRD2TSHRLMNA
SCHEMBL5814341 0.89 MGLL (0.41) PIK3CDBRD4BRD2TSHRLMNA
SCHEMBL7059780 0.89 MGLL (0.41) PIK3CDBRD4BRD2TSHRLMNA
SCHEMBL7793970 0.89 MGLL (0.41) PIK3CDBRD4BRD2TSHRLMNA
SCHEMBL7794084 0.88 FAAH (0.46) PIK3CDFAAHMGLL
SCHEMBL7794085 0.88 FAAH (0.46) PIK3CDFAAHMGLL
SCHEMBL7803804 0.86 FAAH (0.45) TSHRALDH1A1FAAHMGLL
SCHEMBL18935700 0.86 FAAH (0.45) TSHRALDH1A1FAAHMGLL
SCHEMBL7803803 0.86 FAAH (0.45) TSHRALDH1A1FAAHMGLL
SCHEMBL18935701 0.86 FAAH (0.45) TSHRALDH1A1FAAHMGLL

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