SCHEMBL9205449

SCHEMBL9205449

CCCCCC[N]C(C)CCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM1 Q05193 2/20 0.44
TSHR P16473 2/20 0.38
THRB P10828 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NAAA Q02083 1/20 0.38
OPRM1 P35372 1/20 0.37
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 2/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
CA2 P00918 1/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL9209437 0.95 OPRM1 (0.42) DNM1TSHRTHRBMEN1KMT2A
SCHEMBL9205665 0.95 OPRM1 (0.42) DNM1TSHRTHRBMEN1KMT2A
SCHEMBL9203784 0.95 OPRM1 (0.42) DNM1TSHRTHRBMEN1KMT2A
SCHEMBL9212803 0.93 OPRM1 (0.44) DNM1TSHRTHRBMEN1KMT2A
SCHEMBL9207705 0.91 OPRM1 (0.42) DNM1TSHRTHRBOPRM1SPHK1
SCHEMBL9213128 0.91 OPRM1 (0.42) DNM1TSHRTHRBOPRM1SPHK1
SCHEMBL9205128 0.86 OPRM1 (0.42) DNM1TSHRTHRBOPRM1SPHK1
SCHEMBL9214860 0.86 OPRM1 (0.42) DNM1TSHRTHRBOPRM1SPHK1
SCHEMBL9204299 0.84 FAAH (0.44) MEN1KMT2ALMNAUSP2TP53
SCHEMBL9204294 0.84 FAAH (0.44) MEN1KMT2ALMNAUSP2TP53

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