SCHEMBL7220502

SCHEMBL7220502

CCC(=O)c1nc(C)nc2c1COCN2c1c(C)cc(OC)cc1C

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 2/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
NR4A1 P22736 1/20 0.31
CYP3A4 P08684 1/20 0.30
HPGD P15428 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7220553 0.75 CRHR1 (0.32) CRHR1
SCHEMBL7220148 0.73 KDM4E (0.31) MAPTSMN1; SMN2KDM4E
SCHEMBL9720612 0.61 CYP3A4 (0.57) TSHRCYP3A4HPGDPOLBKMT2A
SCHEMBL5599988 0.60 CRHR1 (0.36) CRHR1
SCHEMBL5600217 0.60 CRHR1 (0.36) CRHR1
SCHEMBL7221765 0.57 CRHR1 (0.45) CRHR1MAPTSMN1; SMN2KMT2A
SCHEMBL29127366 0.57 ALDH1A1 (0.40) MAPTSMN1; SMN2KDM4ETSHRCYP3A4
SCHEMBL22430527 0.56 CYP11B1 (0.48) CRHR1MAPTSMN1; SMN2KDM4ELMNA
Hydrochloric Acid SCHEMBL29127365 0.55 ALDH1A1 (0.39) MAPTSMN1; SMN2TSHRCYP3A4HPGD
SCHEMBL22430509 0.55 POLB (0.64) SMN1; SMN2KDM4ELMNATSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1103553-A2 Substituted heterocyclic derivatives Pfizer Products Inc. (US) 2001-05-30 EP claimed
US-6525067-B1 Corticotropin releasing factor antagonists; such as 1-(2-methyl-8-(2,4,6-trimethyl-phenyl)-quinolin-4-yl)-propan-1-one-oxime PFIZER INC 2003-02-25 US disclosed
EP-1103553-A2 Substituted heterocyclic derivatives Pfizer Products Inc. (US) 2001-05-30 EP disclosed