SCHEMBL23837533

SCHEMBL23837533

C=C(CCn1cccn1)NC1BCc2c(cccc2C(=O)CCCCC)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.34
▸ DRD2 P14416 2/20 0.33
▸ DRD1 P21728 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ THRB P10828 2/20 0.32
▸ POLB P06746 1/20 0.31
▸ NAMPT P43490 1/20 0.31
▸ GFER P55789 1/20 0.30
▸ EDNRB P24530 1/20 0.30
▸ EDNRA P25101 1/20 0.30

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
SCHEMBL23837455 0.79 TRPA1 (0.42) LMNAKMT2ATHRBPOLB
SCHEMBL18966982 0.74 MTNR1A (0.31) NAMPT
SCHEMBL18966482 0.74 MTNR1A (0.31) NAMPT
SCHEMBL23837490 0.72 HTR1A (0.34) LMNADRD2KMT2A
SCHEMBL23837397 0.72 MTNR1A (0.30) —
SCHEMBL23837583 0.70 TSHR (0.35) LMNAKMT2APOLB
SCHEMBL18966773 0.70 — —
SCHEMBL23837493 0.69 MTNR1A (0.33) DRD2
SCHEMBL23837563 0.69 MTNR1A (0.37) LMNAKMT2ATHRB
SCHEMBL23837590 0.69 ALDH1A1 (0.39) LMNA

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-3882252-A1 BETA-LACTAMASE INHIBITORS Venatorx Pharmaceuticals, Inc. (US) 2021-09-22 — — EP disclosed
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