SCHEMBL27670940

SCHEMBL27670940

[CH2]CC(C)(c1cc(C)nc2c(-c3ccc(C)cc3C)c(C)nn12)C1CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.43
GRM8 O00222 2/20 0.43
GRM7 Q14831 2/20 0.43
CYP2C9 P11712 2/20 0.43
TACR1 P25103 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR1 P34998 4/20 0.41
HTT P42858 1/20 0.40
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
NPY1R P25929 2/20 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
SCHEMBL27670939 0.90 CRHR1 (0.52) CYP1A2GRM8GRM7CYP2C9TACR1
SCHEMBL7438135 0.76 CRHR1 (0.44) CYP1A2GRM8GRM7CYP2C9TACR1
SCHEMBL5600230 0.72 CRHR1 (0.41) CRHR1
SCHEMBL7438143 0.68 CRHR1 (0.42) MEN1KMT2ACRHR1LMNAMAPT
SCHEMBL5600227 0.68 CRHR1 (0.73) CRHR1
SCHEMBL5600236 0.67 CRHR1 (0.42) CRHR1LMNANPY1R
SCHEMBL5599612 0.67 CRHR1 (0.80) CRHR1
SCHEMBL7441810 0.67 CRHR1 (0.52) MEN1KMT2ACRHR1HTTMAPT
SCHEMBL7434748 0.67 CRHR1 (0.48) CRHR1NPY1R
SCHEMBL13134057 0.65 CRHR1 (0.70) 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
CN-1917882-A Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists PFIZER (US) 2007-02-21 CN claimed
CN-1917882-A Therapeutic combinations of atypical antipsychotics with corticotropin releasing factor antagonists PFIZER (US) 2007-02-21 CN disclosed