SCHEMBL20495152

SCHEMBL20495152

CC(C)(C)OC(=O)N1CCN(C[C@H](O)CN(c2ccccc2)c2ccc(Br)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.50
▸ KDM4E B2RXH2 3/20 0.50
▸ MEN1 O00255 3/20 0.50
▸ KMT2A Q03164 3/20 0.50
▸ HSD17B10 Q99714 1/20 0.48
▸ ESRRB O95718 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ ESRRA P11474 1/20 0.46
▸ ESRRG P62508 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.44
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM1 P11229 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ PRMT5 O14744 2/20 0.43
▸ WDR77 Q9BQA1 2/20 0.43
▸ HSP90AB1 P08238 1/20 0.41
▸ RORC P51449 1/20 0.40

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
SCHEMBL25076475 1.00 ABCB1 (0.52) ABCB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL27175581 0.85 KMT2A (0.59) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL10321592 0.79 ABCB1 (0.56) ABCB1ALDH1A1KDM4ETDP1CHRM2
SCHEMBL10320993 0.79 ABCB1 (0.56) ABCB1ALDH1A1KDM4ETDP1CHRM2
SCHEMBL25076539 0.76 KMT2A (0.61) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL16825792 0.74 DRD2 (0.53) ABCB1ALDH1A1KDM4EESRRBESR1
SCHEMBL16846206 0.74 DRD2 (0.53) ABCB1ALDH1A1KDM4EESRRBESR1
SCHEMBL16846231 0.74 DRD2 (0.53) ABCB1ALDH1A1KDM4EESRRBESR1
SCHEMBL608201 0.73 MEN1 (0.64) ABCB1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL606958 0.73 MEN1 (0.64) ABCB1ALDH1A1KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4387447-A1 COMPOSITIONS FOR ORGAN AND TISSUE PRESERVATION Albert Einstein College of Medicine (US) 2024-06-26 — — EP disclosed
WO-2023023316-A1 COMPOSITIONS FOR ORGAN AND TISSUE PRESERVATION ALBERT EINSTEIN COLLEGE OF MEDICINE (US) 2023-02-23 — — WO disclosed
WO-2018165494-A1 SMALL MOLECULE BAX INHIBITORS AND USES THEREOF ALBERT EINSTEIN COLLEGE OF MEDICINE, INC. (US) 2018-09-13 — — WO disclosed
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