SCHEMBL31283552

SCHEMBL31283552

Clc1ccc(N2CC[C@H]3CNCC[C@H]32)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.54
HTR2C P28335 3/20 0.54
HTR2B P41595 3/20 0.54
HRH3 Q9Y5N1 2/20 0.51
HTR3A P46098 2/20 0.44
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
ADRB1 P08588 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CHRNB2 P17787 6/20 0.42
CHRNB4 P30926 6/20 0.42
CHRNA3 P32297 6/20 0.42
CHRNA4 P43681 6/20 0.42
LTA4H P09960 1/20 0.36

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
SCHEMBL25389466 0.84 HTR2C (0.54) HTR2AHTR2CHTR2BHRH3CHRNB2
SCHEMBL25389269 0.84 HTR2C (0.54) HTR2AHTR2CHTR2BHRH3CHRNB2
SCHEMBL1239743 0.84 HTR2A (0.52) HTR2AHTR2CHTR2BHRH3HTR3A
SCHEMBL31288411 0.79 CHRNB2 (0.42) HTR2AHTR2CHTR2BCHRNB2CHRNB4
SCHEMBL31288324 0.79 CHRNB2 (0.42) HTR2AHTR2CHTR2BCHRNB2CHRNB4
SCHEMBL25391366 0.79 CHRNB2 (0.42) HTR2AHTR2CHTR2BCHRNB2CHRNB4
SCHEMBL25390533 0.79 CHRNB2 (0.42) HTR2AHTR2CHTR2BCHRNB2CHRNB4
SCHEMBL25388873 0.77 HRH3 (0.45) HTR2AHTR2CHTR2BHRH3
SCHEMBL25389966 0.77 HRH3 (0.45) HTR2AHTR2CHTR2BHRH3
SCHEMBL25387605 0.77 HRH3 (0.45) HTR2AHTR2CHTR2BHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4472963-A1 DGK TARGETING COMPOUNDS AND USES THEREOF Arvinas Operations, Inc. (US) 2024-12-11 EP disclosed
CN-118946556-A DGK targeting compounds and uses thereof 阿维纳斯运营公司 2024-11-12 CN disclosed