SCHEMBL30867647

SCHEMBL30867647

COc1ccc2cccc(C(C)N)c2n1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.44
MTNR1B P49286 12/20 0.44
MCHR1 Q99705 2/20 0.40
TAAR1 Q96RJ0 1/20 0.39
PDCD1LG2 Q9BQ51 3/20 0.38
CD274 Q9NZQ7 3/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
NFKB1 P19838 1/20 0.37
PNMT P11086 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
SCHEMBL22559305 1.00 MTNR1A (0.44) MTNR1AMTNR1BMCHR1TAAR1PDCD1LG2
SCHEMBL7859352 0.86 MTNR1A (0.43) MTNR1AMTNR1BMCHR1CYP1A2CYP3A4
SCHEMBL1712155 0.81 MTNR1A (0.46) MTNR1AMTNR1BMCHR1PDCD1LG2CD274
SCHEMBL1712390 0.78 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL1723516 0.76 MTNR1A (0.45) MTNR1AMTNR1BMCHR1
SCHEMBL1222885 0.75 BACE1 (0.53) MTNR1AMTNR1BMCHR1
SCHEMBL3577364 0.75 MCHR1 (0.49) MTNR1AMTNR1BMCHR1
SCHEMBL6208088 0.75 MTNR1A (0.41) MTNR1AMTNR1BMCHR1
SCHEMBL1711985 0.75 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL4489968 0.75 MTNR1A (0.44) MTNR1AMTNR1BMCHR1

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
CN-114072207-B Bicyclic compounds 维瓦斯治疗公司 2024-03-29 CN disclosed