SCHEMBL24581237

SCHEMBL24581237

Cc1cc(F)ccc1CCCN1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 12/20 0.60
▸ AR P10275 5/20 0.51
▸ SIGMAR1 Q99720 2/20 0.47
▸ MEN1 O00255 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL24581185 0.80 HRH3 (0.71) HRH3SIGMAR1ALDH1A1
SCHEMBL24580841 0.79 HRH3 (0.67) HRH3ARSIGMAR1ALDH1A1
SCHEMBL15314493 0.76 HRH3 (1.00) HRH3ARSIGMAR1MEN1ALDH1A1
SCHEMBL450393 0.76 HRH3 (1.00) HRH3ARSIGMAR1MEN1ALDH1A1
SCHEMBL450394 0.76 HRH3 (1.00) HRH3ARSIGMAR1MEN1ALDH1A1
SCHEMBL437365 0.76 HRH3 (1.00) HRH3ARSIGMAR1MEN1ALDH1A1
SCHEMBL24564593 0.75 AR (0.52) HRH3ARSIGMAR1MEN1ALDH1A1
SCHEMBL29696971 0.75 AR (0.52) HRH3ARSIGMAR1MEN1ALDH1A1
SCHEMBL24581211 0.75 HRH3 (0.67) HRH3ARSIGMAR1MEN1ALDH1A1
SCHEMBL24581220 0.75 HRH3 (0.70) HRH3ARSIGMAR1MEN1ALDH1A1

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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