SCHEMBL6985286

SCHEMBL6985286

COc1ccc(C(=O)c2cc(NCC(=O)NCC3CCNCC3)c3ccccc3n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACP1 P24666 6/20 0.45
HTR4 Q13639 1/20 0.42
KDM1A O60341 1/20 0.41
BRD4 O60885 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
EP300 Q09472 1/20 0.40
ALDH1A1 P00352 2/20 0.40
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
Hydrochloric Acid SCHEMBL6990438 0.86 FAAH (0.41) ACP1HTR4SMN1; SMN2ALDH1A1
SCHEMBL6983309 0.81 ACP1 (0.42) ACP1KDM1A
SCHEMBL6984092 0.79 HTR4 (0.46) HTR4KDM1ASMN1; SMN2EP300ALDH1A1
SCHEMBL6989025 0.77 HTR4 (0.43) HTR4KDM1ASMN1; SMN2EP300ALDH1A1
SCHEMBL6990414 0.77 HTR4 (0.43) HTR4KDM1ASMN1; SMN2EP300ALDH1A1
SCHEMBL6985733 0.77 HTR4 (0.43) HTR4KDM1ASMN1; SMN2EP300ALDH1A1
SCHEMBL6982744 0.77 EP300 (0.45) HTR4KDM1ASMN1; SMN2EP300ALDH1A1
SCHEMBL6986612 0.76 HTR4 (0.43) HTR4KDM1ASMN1; SMN2EP300ALDH1A1
SCHEMBL6985413 0.76 HTR4 (0.43) HTR4KDM1ASMN1; SMN2EP300ALDH1A1
SCHEMBL6984079 0.76 EP300 (0.42) HTR4KDM1ABRD4SMN1; SMN2EP300

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-1289954-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096303-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed