SCHEMBL7659648

SCHEMBL7659648

O=C(OCc1ccccc1)N1CCC(Cn2cncc2CN2CC(=O)N(Cc3cccc4ccccc34)C2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FNTA P49354 7/20 0.42
FNTB P49356 7/20 0.42
PGGT1B P53609 6/20 0.42
GRIN2B Q13224 9/20 0.42
CYP2D6 P10635 4/20 0.42
CYP2C9 P11712 4/20 0.42
CYP3A4 P08684 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MGLL Q99685 1/20 0.37
CYP2C19 P33261 1/20 0.37
P2RX7 Q99572 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
SCHEMBL7662366 0.97 FNTA (0.42) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7661101 0.87 FNTA (0.43) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7501870 0.76 FNTA (0.43) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL6926261 0.76 GRIN2B (0.54) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL6923102 0.75 GRIN2B (0.53) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL6928071 0.75 FNTA (0.55) FNTAFNTBPGGT1BGRIN2BCYP2D6
Hydrochloric Acid SCHEMBL6926446 0.74 GRIN2B (0.53) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7509424 0.72 FNTA (0.72) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL7507010 0.72 FNTA (0.60) FNTAFNTBPGGT1BGRIN2BCYP2D6
SCHEMBL6929325 0.72 SMN1; SMN2 (0.53) FNTAFNTBPGGT1BGRIN2BCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384061-B1 HYDANTOIN COMPOUNDS REPRESENTED BY FORMULA (I) WHICH SHOWS AN INHIBITORY ACTIVITY AGAINST FARNESYL TRANSFERASE, AND THUS CAN BE USED AS AN ANTI-CANCER AGENT, OR PHARMACEUTICALLY ACCEPTABLE SALTS LG CHEMICAL LTD. (KR) 2002-05-07 US disclosed