SCHEMBL630201

SCHEMBL630201

CCCCc1ccccc1NCCc1cc(F)cc(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
SCD O00767 3/20 0.35
POLB P06746 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
ABCB1 P08183 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ACP1 P24666 1/20 0.34
TYR P14679 1/20 0.34
GAA P10253 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TLR8 Q9NR97 1/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL10408180 0.80 POLB (0.46) SCDPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL10408667 0.77 LIPG (0.47) SIGMAR1POLBCYP3A4CYP2D6CYP2C9
SCHEMBL1438701 0.75 POLB (0.40) SIGMAR1SCDPOLBCYP3A4CYP2D6
SCHEMBL10408672 0.75 LIPG (0.49) SIGMAR1POLBL3MBTL1TLR8
SCHEMBL2698254 0.74 ADRA2B (0.45) SCDPOLBCYP3A4CYP2D6CYP2C9
SCHEMBL10409294 0.73 LIPG (0.51) SIGMAR1POLBL3MBTL1SMN1; SMN2
SCHEMBL4557996 0.73 LIPG (0.51) SIGMAR1POLBL3MBTL1SMN1; SMN2
SCHEMBL4197444 0.72 NPC1 (0.50) CYP3A4HTT
SCHEMBL5839104 0.71 ADRA2B (0.49) SCDPOLBCYP3A4CYP2C9ABCB1
SCHEMBL10705251 0.71 CYP3A4 (0.44) SIGMAR1POLBCYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986384-B1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIV PITTSBURGH (US) 2012-02-22 EP disclosed
US-6310095-B1 INHIBITING OR TREATING CANCER, TREATING INTIMAL HYPERPLASIA ASSOCIATED WITH RESTENOSIS AND ATHEROSCLEROSIS, INHIBITING POST-TRANSLATIONAL MODIFICATION OF ONCOGENIC RAS PROTEIN BY PROTEIN FARNESYLTRANSFERASE AND/OR GERANYLGERANYLTRANSFERASE UNIVERSITY OF PITTSBURGH 2001-10-30 US disclosed