SCHEMBL30305685

SCHEMBL30305685

COC(=O)[C@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](N)Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 1/20 0.61
▸ NOS2 P35228 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.60
▸ CYP2C9 P11712 2/20 0.60
▸ CYP2C19 P33261 2/20 0.60
▸ THRB P10828 1/20 0.60
▸ HSD17B10 Q99714 1/20 0.60
▸ ATM Q13315 2/20 0.54
▸ TSHR P16473 1/20 0.53
▸ PYGL P06737 1/20 0.53
▸ POLB P06746 1/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ NOS3 P29474 1/20 0.52
▸ NOS1 P29475 1/20 0.52
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ LMNA P02545 1/20 0.50
▸ GLA P06280 1/20 0.50

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
SCHEMBL30305684 1.00 OPRK1 (0.61) OPRK1NOS2ALDH1A1CYP2C9CYP2C19
SCHEMBL22604409 1.00 OPRK1 (0.61) OPRK1NOS2ALDH1A1CYP2C9CYP2C19
SCHEMBL30581395 0.92 OPRK1 (0.69) OPRK1ALDH1A1CYP2C9CYP2C19THRB
SCHEMBL28231245 0.92 OPRK1 (0.69) OPRK1ALDH1A1CYP2C9CYP2C19THRB
SCHEMBL7139809 0.92 OPRK1 (0.69) OPRK1ALDH1A1CYP2C9CYP2C19THRB
SCHEMBL30581396 0.92 OPRK1 (0.69) OPRK1ALDH1A1CYP2C9CYP2C19THRB
Bromide SCHEMBL11571243 0.91 OPRK1 (0.67) OPRK1ALDH1A1CYP2C9CYP2C19THRB
Hydrochloric Acid SCHEMBL29661828 0.91 OPRK1 (0.67) OPRK1ALDH1A1CYP2C9CYP2C19THRB
SCHEMBL20885112 0.90 OPRK1 (0.66) OPRK1ALDH1A1CYP2C9CYP2C19THRB
SCHEMBL11359300 0.89 TSHR (0.67) OPRK1ALDH1A1CYP2C9CYP2C19THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250127167-A1 ANTIMICROBIAL PEPTIDES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2025-04-24 — — US claimed
US-20250127167-A1 ANTIMICROBIAL PEPTIDES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2025-04-24 — — US disclosed
EP-4401555-A1 ANTIMICROBIAL PEPTIDES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD (IL) 2024-07-24 — — EP disclosed
WO-2023042201-A1 ANTIMICROBIAL PEPTIDES YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) 2023-03-23 — — WO disclosed
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