SCHEMBL7945728

SCHEMBL7945728

CCC(CC)n1nnc2c(Cl)nc(C)nc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 5/20 0.37
ALDH1A1 P00352 3/20 0.33
TSHR P16473 1/20 0.33
LMNA P02545 2/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
ALOX15 P16050 2/20 0.32
HPGD P15428 2/20 0.32
RXFP1 Q9HBX9 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL7218557 0.89 CRHR1 (0.40) CRHR1ALDH1A1TSHR
SCHEMBL7625265 0.88 CRHR1 (0.36) CRHR1ALDH1A1TSHRLMNAMEN1
SCHEMBL3444048 0.81 CYP1A2 (0.33) ALDH1A1TSHRLMNAMEN1KMT2A
SCHEMBL7216722 0.72 CRHR1 (0.54) CRHR1KDM4E
SCHEMBL7216710 0.71 PDK2 (0.33) CRHR1KDM4EHPGD
SCHEMBL21159079 0.70 MEN1 (0.33) ALDH1A1LMNAMEN1KMT2AKDM4E
SCHEMBL7480702 0.70 CRHR1 (0.52) CRHR1
SCHEMBL12355610 0.69 CRHR1 (0.34) CRHR1ALDH1A1LMNAKDM4EHPGD
SCHEMBL21886137 0.67 CRHR1 (0.52) CRHR1ALDH1A1LMNAMEN1KMT2A
SCHEMBL21886138 0.67 LMNA (0.43) CRHR1ALDH1A1TSHRLMNAKDM4E

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
US-6258809-B1 NERVOUS SYSTEM DISORDERS, ANTIDEPRESSANTS AND PSYCHIATRY DUPONT PHARMACEUTICALS COMPANY 2001-07-10 US disclosed
US-6124300-A Aryloxy- and arylthio- fused pyridines and pyrimidines and derivatives DUPONT PHARMACEUTICALS (US) 2000-09-26 US disclosed