SCHEMBL8415367

SCHEMBL8415367

NC(=O)CCc1ccccc1N1CCNC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LMNA P02545 1/20 0.36
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
GAA P10253 1/20 0.35
MPO P05164 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
SCHEMBL8558186 0.83 NOTUM (0.42) ALDH1A1KDM4EMEN1KMT2ASMN1; SMN2
SCHEMBL8417011 0.81 CYP4F2 (0.52) ALDH1A1KDM4EMAPTCYP1A2CYP3A4
SCHEMBL8414043 0.80 NOTUM (0.46) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL27650487 0.79 MAPT (0.43) SCN9AALDH1A1KDM4EMAPTCYP1A2
SCHEMBL31058340 0.79 MEN1 (0.49) SCN9AALDH1A1KDM4EMAPTCYP1A2
Hydrochloric Acid SCHEMBL8576052 0.77 TDP1 (0.48) ALDH1A1POLBCYP3A4MEN1KMT2A
SCHEMBL3957390 0.75 NPC1 (0.53) SCN9AALDH1A1KDM4EMAPTLMNA
SCHEMBL8415373 0.74 ITGB3 (0.41) ALDH1A1POLBMEN1KMT2ALMNA
SCHEMBL8572572 0.72 MEN1 (0.38) SCN9AALDH1A1KDM4EMAPTCYP1A2
SCHEMBL3957395 0.72 SCN9A (0.47) SCN9AALDH1A1KDM4EMAPTCYP1A2

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
US-5880284-A HAVING ANTITHROMBOTIC, ANTIAGGREGATORY AND TUMOR- OR METASTASES-INHIBITING EFFECTS DR. KARL THOMAE GMBH (DE) 1999-03-09 US disclosed
US-5681841-A PREVENTION CELL AGGREGATION KARL THOMAE GMBH (DE) 1997-10-28 US disclosed