SCHEMBL9207705

SCHEMBL9207705

CCCCCCCCCCCCCCC(C)[N]CCCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
SPHK1 Q9NYA1 1/20 0.40
LMNA P02545 1/20 0.39
DNM1 Q05193 2/20 0.39
TSHR P16473 1/20 0.38
THRB P10828 1/20 0.38
ADH1B P00325 1/20 0.38
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
ADH7 P40394 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
FDPS P14324 3/20 0.35
GPR84 Q9NQS5 2/20 0.35

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
SCHEMBL9213128 1.00 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9209437 0.95 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9203784 0.95 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9205665 0.95 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9212803 0.93 OPRM1 (0.44) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9214860 0.91 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9205449 0.91 DNM1 (0.44) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9205128 0.91 OPRM1 (0.42) OPRM1SPHK1LMNADNM1TSHR
SCHEMBL9806102 0.85 OPRM1 (0.35) OPRM1LMNADNM1TSHR
SCHEMBL9206191 0.84 FAAH (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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0421441-B1 Pantothenic acid derivatives FUJIREBIO KK (JP) 1995-01-25 EP disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed