SCHEMBL22190437

SCHEMBL22190437

C[C@@H](CC=Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 3/20 0.59
▸ TAAR1 Q96RJ0 5/20 0.44
▸ SLC6A2 P23975 2/20 0.44
▸ SIGMAR1 Q99720 2/20 0.44
▸ MAOA P21397 1/20 0.44
▸ SLC6A4 P31645 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ ADORA2A P29274 1/20 0.44
▸ ADORA1 P30542 1/20 0.44
▸ SLC18A2 Q05940 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ GRIK1 P39086 1/20 0.41
▸ GRIK2 Q13002 1/20 0.41

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
SCHEMBL21569429 1.00 HTR2A (0.59) HTR2ATAAR1SLC6A2SIGMAR1MAOA
SCHEMBL14037582 0.86 HTR2A (0.70) HTR2ASIGMAR1GRIK1GRIK2
SCHEMBL106772 0.81 HTR2A (0.63) HTR2AMEN1KMT2AGRIK1GRIK2
SCHEMBL106773 0.81 HTR2A (0.63) HTR2AMEN1KMT2AGRIK1GRIK2
SCHEMBL25189137 0.79 HTR2A (0.61) HTR2AGRIK1GRIK2
SCHEMBL10454604 0.79 TRPA1 (0.46) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL10454603 0.79 TRPA1 (0.46) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL31414183 0.79 GRIK1 (0.47) HTR2AMEN1KMT2AGRIK1GRIK2
SCHEMBL31414180 0.79 TRPA1 (0.43) HTR2AMAOAGRIK1GRIK2
SCHEMBL11518916 0.79 TAAR1 (0.48) HTR2ATAAR1SLC6A2SIGMAR1MAOA

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
WO-2020142111-A1 ACRYLIC RESIN WITH INTERNAL PLASTICIZER BENJAMIN MOORE & CO. (US) 2020-07-09 — — WO disclosed
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