SCHEMBL7813620

SCHEMBL7813620

CC(C)(C)OC1CCCCN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 4/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PREP P48147 3/20 0.50
TMEM97 Q5BJF2 3/20 0.50
SIGMAR1 Q99720 3/20 0.50
ACE2 Q9BYF1 1/20 0.49
CYP2C19 P33261 1/20 0.49
CTSB P07858 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL11560321 0.86 FKBP1A (0.57) FKBP1ASMN1; SMN2NPC1RAB9APREP
SCHEMBL11489453 0.84 TMEM97 (0.53) FKBP1ASMN1; SMN2NPC1RAB9APREP
SCHEMBL14836799 0.84 CTSK (0.58) FKBP1ASMN1; SMN2NPC1RAB9APREP
SCHEMBL7284521 0.84 SMN1; SMN2 (0.54) FKBP1ASMN1; SMN2NPC1RAB9APREP
SCHEMBL26151546 0.82 FKBP1A (0.55) FKBP1ASMN1; SMN2NPC1RAB9APREP
SCHEMBL2768429 0.82 PREP (0.60) SMN1; SMN2NPC1RAB9APREPACE2
SCHEMBL16105052 0.82 FKBP1A (0.50) FKBP1ASMN1; SMN2NPC1RAB9APREP
SCHEMBL4117187 0.81 SMN1; SMN2 (0.52) FKBP1ASMN1; SMN2NPC1RAB9APREP
SCHEMBL18477527 0.81 FKBP1A (0.52) FKBP1APREPTMEM97SIGMAR1
SCHEMBL25678381 0.81 FKBP1A (0.62) FKBP1APREPCTSBCTSSCTSK

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
EP-0775132-B1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LTD (GB) 2001-03-28 EP disclosed
US-5968923-A ANTIINFLAMMATORY AGENTS, TREATMENT OF NERVOUS SYSTEM DISORDERS, GASTROINTESTINAL DISORDERS PFIZER INC. (US) 1999-10-19 US disclosed
WO-1996005193-A1 (AZETIDIN-1-YLALKYL)LACTAMS AS TACHYKININ ANTAGONISTS PFIZER LIMITED (GB) 1996-02-22 WO disclosed