SCHEMBL10880262

SCHEMBL10880262

C(#Cc1c2ccccc2c(C#Cc2ccc(COC3CCCCC3)cc2)c2ccccc12)c1ccc(COC2CCCCC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.39
CTSB P07858 1/20 0.39
CTSK P43235 1/20 0.39
NAAA Q02083 6/20 0.39
TMEM97 Q5BJF2 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
DRD4 P21917 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR7 P34969 1/20 0.37
HTR2B P41595 1/20 0.37
HTR3A P46098 1/20 0.37
SLC6A3 Q01959 1/20 0.37
HTR4 Q13639 1/20 0.37
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
DPP4 P27487 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL4962479 0.78 CARM1 (0.48) CTSLCTSBCTSKNAAATMEM97
SCHEMBL9131464 0.76 CTSL (0.56) CTSLCTSBCTSKNAAATMEM97
SCHEMBL61112 0.76 CTSL (0.56) CTSLCTSBCTSKNAAATMEM97
SCHEMBL8449011 0.75 DRD4 (0.56) CTSLCTSBCTSKNAAATMEM97
SCHEMBL18615340 0.75 SIGMAR1 (0.41) NAAATMEM97SIGMAR1DRD4SLC6A2
SCHEMBL355570 0.74 OPRM1 (0.56) CTSLCTSBCTSKNAAATMEM97
SCHEMBL5551135 0.73 NAAA (0.60) CTSLCTSBCTSKNAAAOPRM1
SCHEMBL7062835 0.73 DRD4 (0.58) CTSLCTSBCTSKNAAATMEM97
SCHEMBL10879741 0.73 ACACB (0.46) L3MBTL1ACACB
SCHEMBL18611467 0.72 HRH3 (0.42) TMEM97SIGMAR1DRD4L3MBTL1ACACB

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
EP-0107008-B1 9,10-BIS(PHENYLETHYNYL)-ANTHRACENES AMERICAN CYANAMID COMPANY (US) 1986-03-26 EP claimed
EP-0107008-A1 9,10-bis(phenylethynyl)-anthracenes AMERICAN CYANAMID COMPANY (US) 1984-05-02 EP claimed
EP-0107008-B1 9,10-BIS(PHENYLETHYNYL)-ANTHRACENES AMERICAN CYANAMID COMPANY (US) 1986-03-26 EP disclosed
EP-0107008-A1 9,10-bis(phenylethynyl)-anthracenes AMERICAN CYANAMID COMPANY (US) 1984-05-02 EP disclosed