SCHEMBL24580904

SCHEMBL24580904

CNCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 11/20 0.75
▸ SIGMAR1 Q99720 5/20 0.59
▸ AR P10275 2/20 0.56
▸ EPHX2 P34913 1/20 0.52
▸ CARM1 Q86X55 1/20 0.52
▸ PRMT6 Q96LA8 1/20 0.52

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
SCHEMBL24581225 0.86 HRH3 (0.70) HRH3SIGMAR1AR
SCHEMBL437365 0.86 HRH3 (1.00) HRH3SIGMAR1AREPHX2
SCHEMBL450393 0.86 HRH3 (1.00) HRH3SIGMAR1AREPHX2
SCHEMBL15314493 0.86 HRH3 (1.00) HRH3SIGMAR1AREPHX2
SCHEMBL450394 0.86 HRH3 (1.00) HRH3SIGMAR1AREPHX2
SCHEMBL12883193 0.81 HRH3 (0.72) HRH3SIGMAR1AR
SCHEMBL12836573 0.81 HRH3 (0.72) HRH3SIGMAR1AR
SCHEMBL24581185 0.80 HRH3 (0.71) HRH3SIGMAR1
SCHEMBL24581220 0.80 HRH3 (0.70) HRH3SIGMAR1AREPHX2
SCHEMBL18766898 0.80 HRH3 (0.67) HRH3SIGMAR1AR

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-2022140464-A1 COMPOUNDS AND METHODS FOR TREATING AUTOIMMUNE DISORDERS BY TARGETING HLA-DQ2 IMMUNOMOLECULAR THERAPEUTICS, INC. (US) 2022-06-30 — — WO disclosed
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