SCHEMBL7943686

SCHEMBL7943686

O=C(NCC=C1CCc2ccccc21)C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.43
MTNR1B P49286 3/20 0.43
NQO2 P16083 2/20 0.43
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
KMT2A Q03164 2/20 0.39
CYP19A1 P11511 2/20 0.36
CYP11B2 P19099 2/20 0.36
MAOB P27338 1/20 0.36
CYP11B1 P15538 1/20 0.36
MIF P14174 3/20 0.36
LMNA P02545 2/20 0.35
CYP3A4 P08684 2/20 0.35
SLC6A2 P23975 2/20 0.35
TP53 P04637 1/20 0.35
CYP1A2 P05177 1/20 0.35
ADRB2 P07550 1/20 0.35
RET P07949 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 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
SCHEMBL7943684 1.00 MTNR1A (0.43) MTNR1AMTNR1BNQO2RAB9ANPC1
SCHEMBL7943680 1.00 MTNR1A (0.43) MTNR1AMTNR1BNQO2RAB9ANPC1
SCHEMBL7943756 0.92 MTNR1A (0.41) MTNR1AMTNR1BNQO2RAB9ANPC1
SCHEMBL7945336 0.79 MTNR1A (0.71) MTNR1AMTNR1BNQO2CYP19A1CYP11B2
SCHEMBL7945340 0.79 MTNR1A (0.71) MTNR1AMTNR1BNQO2CYP19A1CYP11B2
SCHEMBL7945343 0.79 MTNR1A (0.71) MTNR1AMTNR1BNQO2CYP19A1CYP11B2
SCHEMBL7950257 0.73 RXRA (0.46) MTNR1AMTNR1BNQO2RAB9ANPC1
SCHEMBL7952090 0.72 MTNR1A (0.62) MTNR1AMTNR1BNQO2RAB9ANPC1
SCHEMBL7952100 0.72 MTNR1A (0.62) MTNR1AMTNR1BNQO2MAPT
SCHEMBL7952097 0.72 MTNR1A (0.62) MTNR1AMTNR1BNQO2MAPT

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
US-6235789-B1 GLANDULAR DISORDERS; SLEEP DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed
EP-0781271-B1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2000-06-07 EP disclosed
EP-0781271-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-07-02 EP disclosed
WO-1996008466-A1 BENZOCYCLOALKENE COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-03-21 WO disclosed