SCHEMBL6948988

SCHEMBL6948988

O=C(NCCCc1c(Cl)ccc2c1CCO2)C1CC1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.50
MTNR1B P49286 14/20 0.50
MAPT P10636 1/20 0.43
ABCB11 O95342 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
USP2 O75604 1/20 0.40
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37

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 0.84 MTNR1A (0.52) MTNR1AMTNR1B
Cyclopropane SCHEMBL6948950 0.84 MTNR1A (0.39) MTNR1AMTNR1BABCB11SIGMAR1USP2
SCHEMBL6950797 0.79 MTNR1A (0.37) MTNR1AMTNR1BMAPT
SCHEMBL6950864 0.79 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL6956175 0.73 MTNR1B (0.37) MTNR1AMTNR1BTSHR
SCHEMBL6956181 0.73 HTR2C (0.35)
SCHEMBL14115859 0.72 NAMPT (0.40) MTNR1AMTNR1B
Hydrochloric Acid SCHEMBL6955982 0.72 HTR2C (0.35)
SCHEMBL18301929 0.70 AKR1B1 (0.47) MTNR1AMTNR1BABCB11SIGMAR1TSHR
SCHEMBL6950270 0.70 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 6 patents. 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
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US claimed
EP-0901483-B1 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LTD (GB) 2003-07-09 EP disclosed
US-5981572-A Benzofurans and benzopyrans as chronobiological agents GLAXO WELLCOME INC. (US) 1999-11-09 US disclosed
EP-0901483-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP disclosed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO disclosed