SCHEMBL29700588

SCHEMBL29700588

CC(C)(C)[C@H]1CC[C@H](Oc2ccc3cc(C(=O)N4CCCCC4)ccc3c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 13/20 0.67
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 2/20 0.52
▸ L3MBTL3 Q96JM7 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL12471106 0.88 HRH3 (0.56) HRH3
SCHEMBL12471111 0.88 HRH3 (0.56) HRH3
SCHEMBL17997522 0.87 HRH3 (0.58) HRH3KMT2AMEN1L3MBTL3L3MBTL1
SCHEMBL12471398 0.86 HRH3 (0.57) HRH3KMT2AMEN1
SCHEMBL12471396 0.86 HRH3 (0.57) HRH3KMT2AMEN1
SCHEMBL11942498 0.85 HRH3 (0.50) HRH3KMT2AMEN1
SCHEMBL16309021 0.82 HRH3 (0.49) HRH3KMT2AMEN1L3MBTL1
SCHEMBL4513942 0.82 HRH3 (0.98) HRH3KMT2A
SCHEMBL4500595 0.82 HRH3 (0.98) HRH3KMT2A
SCHEMBL11942496 0.82 HRH3 (0.46) HRH3KMT2AMEN1

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
EP-3660010-B1 S1P MODULATING AGENTS BIOGEN MA INC (US) 2022-07-27 — — EP claimed
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