SCHEMBL7687653

SCHEMBL7687653

CCNc1ccc(C(C)C)cc1Br

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 2/20 0.39
P2RX7 Q99572 2/20 0.39
CRHR1 P34998 11/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL14446436 0.81 P2RX4 (0.36) P2RX4P2RX7CRHR1NPC1RAB9A
SCHEMBL18930268 0.79 LMNA (0.44) LMNAMEN1GAAHPGDKMT2A
SCHEMBL24938982 0.78 MAPT (0.37) NPC1RAB9ALMNAMEN1GAA
SCHEMBL20046659 0.78 POLB (0.35) NPC1RAB9ALMNAGAAHPGD
SCHEMBL2080439 0.77 P2RX4 (0.40) P2RX4P2RX7CRHR1NPC1RAB9A
SCHEMBL13793862 0.76 STAT3 (0.43) NPC1RAB9ALMNAMEN1GAA
SCHEMBL6984717 0.75 CRHR1 (0.43) CRHR1LMNAGAAHPGDKMT2A
SCHEMBL16743893 0.75 P2RX4 (0.46) P2RX4P2RX7NPC1RAB9ALMNA
SCHEMBL5981996 0.75 KDM4E (0.51) NPC1RAB9ALMNAMEN1GAA
SCHEMBL22751309 0.74 CASR (0.36) NPC1RAB9ALMNAMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6342503-B1 ANTIDEPRESSANTS, EATING DISORDERS DUPONT PHARMACEUTICALS COMPANY 2002-01-29 US disclosed
US-6107301-A PSYCHOLOGICAL DISORDERS DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-22 US disclosed
US-6103737-A Aryl- and arylamino- substituted heterocycles as corticotropin releasing hormone antagonists DUPONT PHARMACEUTICALS COMPANY (US) 2000-08-15 US disclosed
EP-0723533-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1996-07-31 EP disclosed
WO-1995010506-A1 1N-ALKYL-N-ARYLPYRIMIDINAMINES AND DERIVATIVES THEREOF THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1995-04-20 WO disclosed