SCHEMBL20240643

SCHEMBL20240643

CC1(c2ccccc2)C=CN=CC1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32
BACE1 P56817 2/20 0.31
HDAC4 P56524 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
PAX8 Q06710 1/20 0.31
MCL1 Q07820 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL28275435 0.79 MAOB (0.38) OPRM1OPRL1BACE1ALDH1A1L3MBTL1
SCHEMBL1610186 0.69 OPRM1 (0.42) OPRM1OPRK1OPRL1HDAC4ALDH1A1
SCHEMBL27638882 0.69 AKR1C1 (0.38) OPRM1OPRL1HDAC4LMNA
SCHEMBL9629458 0.68 HDAC4 (0.36) OPRM1OPRK1OPRL1HDAC4ALDH1A1
SCHEMBL31098962 0.68
Phosphine SCHEMBL27942052 0.67 HDAC4 (0.35) OPRM1OPRK1OPRL1HDAC4ALDH1A1
SCHEMBL6037214 0.65 OPRM1 (0.32) OPRM1OPRK1OPRL1HDAC4ALDH1A1
SCHEMBL31371179 0.65 OPRM1 (0.34) OPRM1OPRK1OPRL1LMNAGAA
SCHEMBL27656430 0.64 BACE1 (0.33) OPRM1OPRK1OPRL1BACE1HDAC4
SCHEMBL22206929 0.63 KDM4E (0.32) OPRM1OPRK1OPRL1

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
CN-110730782-A Photodynamic therapy compounds and methods of photodynamic therapy 光盐生物科技有限公司 2020-01-24 CN claimed
WO-2018102849-A9 PHOTODYNAMIC THERAPEUTIC COMPOUNDS AND PHOTODYNAMIC METHODS OF TREATMENT SALT AND LIGHT PHARMACEUTICALS PTY. LTD. (AU) 2019-11-28 WO claimed
EP-3548494-A1 PHOTODYNAMIC THERAPEUTIC COMPOUNDS AND PHOTODYNAMIC METHODS OF TREATMENT Salt and Light Pharmaceuticals Pty. Ltd. (AU) 2019-10-09 EP claimed
WO-2018102849-A1 PHOTODYNAMIC THERAPEUTIC COMPOUNDS AND PHOTODYNAMIC METHODS OF TREATMENT SALT AND LIGHT PHARMACEUTICALS PTY. LTD. (AU) 2018-06-14 WO claimed