SCHEMBL7856008

SCHEMBL7856008

CC(=O)N[C@H]([C]=O)Cc1ccnc2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.44
CYP1A2 P05177 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HTR2C P28335 3/20 0.40
HTR2B P41595 3/20 0.40
CASP1 P29466 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CTSV O60911 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
LMNA P02545 1/20 0.38
FAAH O00519 1/20 0.38
XIAP P98170 1/20 0.38
NTSR1 P30989 1/20 0.38
CCR1 P32246 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPN11 Q06124 1/20 0.37

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
SCHEMBL7856009 0.80 CASP1 (0.47) ACACBCYP1A2LOXL2MEN1KMT2A
SCHEMBL7864197 0.80 CASP1 (0.47) ACACBCYP1A2LOXL2MEN1KMT2A
SCHEMBL10720563 0.80 CTSL (0.48) CTSLCTSS
SCHEMBL10720555 0.80 CTSL (0.48) CTSLCTSS
SCHEMBL2269285 0.80 TACR1 (0.51) ACACBMEN1KMT2ACTSS
SCHEMBL8944896 0.80 TACR1 (0.51) ACACBMEN1KMT2ACTSS
SCHEMBL26430533 0.76 HTR2C (0.44) CYP1A2LOXL2HTR2CHTR2BCASP1
SCHEMBL9770921 0.75 LOXL2 (0.53) CYP1A2LOXL2KDM4EALDH1A1LMNA
SCHEMBL7862731 0.75 PTPRA (0.49) ACACBCYP1A2ALDH1A1MAPTSMN1; SMN2
SCHEMBL7123254 0.74 CTSC (0.58) CYP1A2MEN1KMT2AKDM4ECTSL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0683792-B1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LAB (US) 2001-09-26 EP disclosed
EP-0683792-A4 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6. ABBOTT LAB (US) 1998-11-18 EP disclosed
EP-0683792-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1995-11-29 EP disclosed
WO-1994014841-A1 LHRH ANTAGONISTS HAVING MODIFIED AMINOACYL RESIDUES AT POSTIONS 5 AND 6 ABBOTT LABORATORIES (US) 1994-07-07 WO disclosed