Cyclopropane

Cyclopropane

SCHEMBL6948950

C1CC1.O=C(O)NCCCc1c(Cl)ccc2c1CCO2

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.39
MTNR1B P49286 17/20 0.39
ABCB11 O95342 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL6953856 0.88 MTNR1A (0.52) MTNR1AMTNR1B
Cyclopropane SCHEMBL6947276 0.85 EED (0.41) MTNR1AMTNR1B
SCHEMBL6948988 0.84 MTNR1A (0.50) MTNR1AMTNR1BABCB11SIGMAR1USP2
Cyclopropane SCHEMBL6950925 0.79 MTNR1A (0.52) MTNR1AMTNR1B
Cyclopropane SCHEMBL6952259 0.77 HTR3E (0.34) MTNR1A
SCHEMBL6956175 0.76 MTNR1B (0.37) MTNR1AMTNR1B
SCHEMBL6956181 0.76 HTR2C (0.35)
SCHEMBL18301929 0.76 AKR1B1 (0.47) MTNR1AMTNR1BABCB11SIGMAR1
Hydrochloric Acid SCHEMBL6955982 0.74 HTR2C (0.35)
SCHEMBL6950270 0.72 MTNR1B (0.56) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP claimed