SCHEMBL4811246

SCHEMBL4811246

C=CCOc1cc2c(cc1F)CCC2CCNC(=O)CC

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 20/20 0.55
MTNR1B P49286 20/20 0.55
NQO2 P16083 13/20 0.55

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
SCHEMBL4814134 1.00 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL12056667 0.89 MTNR1A (0.56) MTNR1AMTNR1BNQO2
SCHEMBL4684602 0.88 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL4684606 0.88 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL13421101 0.88 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL4686020 0.86 MTNR1A (0.57) MTNR1AMTNR1BNQO2
SCHEMBL4686508 0.85 MTNR1A (0.65) MTNR1AMTNR1BNQO2
SCHEMBL4688033 0.84 MTNR1A (0.55) MTNR1AMTNR1BNQO2
SCHEMBL4686022 0.83 MTNR1A (0.58) MTNR1AMTNR1BNQO2
Bicarbonate SCHEMBL8561549 0.81 MTNR1A (0.52) MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101821230-A Process for preparing substituted 7-allyl-6-hydroxy-indanes FERRER INT 2010-09-01 CN claimed
US-7470814-B1 Process for the preparation of substituted 7-allyl-6-hydroxy-indanes FERRER INTERNACIONAL, S.A. (ES) 2008-12-30 US claimed
CN-101821230-A Process for preparing substituted 7-allyl-6-hydroxy-indanes FERRER INT 2010-09-01 CN disclosed
US-7470814-B1 Process for the preparation of substituted 7-allyl-6-hydroxy-indanes FERRER INTERNACIONAL, S.A. (ES) 2008-12-30 US disclosed