SCHEMBL6950797

SCHEMBL6950797

O=C(NCCCc1c(Cl)cc(F)c2c1CCO2)C1CC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.37
MTNR1B P49286 6/20 0.37
CNR1 P21554 4/20 0.36
P2RX7 Q99572 2/20 0.36
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
HPGD P15428 1/20 0.34
ALDH1A1 P00352 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6955883 0.85 MTNR1A (0.43) MTNR1AMTNR1BALDH1A1
Cyclopropane SCHEMBL6952259 0.85 HTR3E (0.34) MTNR1AKMT2AHPGDSMN1; SMN2
SCHEMBL6948988 0.79 MTNR1A (0.50) MTNR1AMTNR1BMAPT
SCHEMBL6950112 0.76 HTR2A (0.40)
SCHEMBL6950109 0.75 PARP1 (0.40) MAPT
SCHEMBL6947461 0.75 MTNR1A (0.45) MTNR1AMTNR1B
SCHEMBL6953416 0.72 MTNR1A (0.43) MTNR1AMTNR1B
SCHEMBL1975895 0.72 MTNR1A (0.53) MTNR1AMTNR1BMAPTKMT2AALDH1A1
SCHEMBL6950864 0.67 MTNR1A (0.56) MTNR1AMTNR1B
SCHEMBL27376952 0.64 EED (0.32)

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 8 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-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1999-03-17 EP claimed
WO-1997043272-A2 BENZOFURANS AND BENZOPYRANS AS CHRONOBIOLOGICAL AGENTS GLAXO GROUP LIMITED (GB) 1997-11-20 WO 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