SCHEMBL7077097

SCHEMBL7077097

CCCCC(C)Nc1cc(C)nc2c(-c3c(C)cc(C)cc3C)cccc12

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 12/20 0.59
NR4A2 P43354 3/20 0.44
IDO1 P14902 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
TP53 P04637 1/20 0.38
CACNA2D1 P54289 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
SCHEMBL5599426 0.83 CRHR1 (0.57) CRHR1NR4A2MEN1KMT2ATP53
SCHEMBL5599396 0.79 CRHR1 (0.53) CRHR1NR4A2MEN1KMT2ATP53
SCHEMBL6094492 0.76 CRHR1 (0.56) CRHR1NR4A2MEN1KMT2ATP53
SCHEMBL5599563 0.75 NR4A2 (0.50) CRHR1NR4A2TP53
SCHEMBL5707856 0.74 CRHR1 (0.46) CRHR1NR4A2MEN1KMT2ATP53
SCHEMBL5600124 0.73 CRHR1 (1.00) CRHR1
SCHEMBL7228514 0.72 CRHR1 (0.61) CRHR1NR4A2
SCHEMBL5600109 0.72 CRHR1 (0.83) CRHR1
SCHEMBL7615502 0.72 CRHR1 (0.60) CRHR1MEN1KMT2A
SCHEMBL5600092 0.71 CRHR1 (0.57) CRHR1

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-0977737-B1 CRF ANTAGONISTIC QUINO- AND QUINAZOLINES JANSSEN PHARMACEUTICA NV (BE) 2003-09-17 EP claimed
EP-1149583-A2 Combinations of corticotropin releasing factor antagonists and growth hormone secretagogues Pfizer Products Inc. (US) 2001-10-31 EP claimed