SCHEMBL8553788

SCHEMBL8553788

Cc1cc(-c2nnn(C)n2)cc(C)c1O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
TRPM8 Q7Z2W7 1/20 0.38
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
ESR1 P03372 1/20 0.34
ESR2 Q92731 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34
EPHX2 P34913 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PPARA Q07869 1/20 0.33

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
SCHEMBL22911187 0.85 RAB9A (0.36) TRPM8RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL15261817 0.81 RAB9A (0.35) TRPM8RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL20119103 0.81 ALDH1A1 (0.46) TRPM8RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL6609423 0.81 TRPV1 (0.42) TRPM8RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL30123049 0.76 TRPM8 (0.40) TRPM8RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL1460083 0.74 RAB9A (0.38) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL8211754 0.73 TRPM8 (0.46) TRPM8RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL851750 0.73 NPC1 (0.52) TRPM8RAB9ASMN1; SMN2NPC1NFKB1
SCHEMBL8215849 0.73 SMN1; SMN2 (0.47) RAB9ASMN1; SMN2NPC1NFKB1NFKB2
SCHEMBL2611133 0.72 KDM2B (0.37) TRPM8RAB9ASMN1; SMN2NPC1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5763461-A ANTIPICORNAVIRAL AGENTS SANOFI (FR) 1998-06-09 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed
US-5665763-A ANTIPICORNAVIRAL AGENTS SANOFI, S.A. (FR) 1997-09-09 US disclosed
EP-0605031-B1 Phenoxy- and phenoxyalkyl-piperidines as antiviral agents SANOFI SA (FR) 1997-07-16 EP disclosed
US-5618821-A VIRICIDES, PICORNAVIRUS SANOFI, S.A. (FR) 1997-04-08 US disclosed
US-5567717-A COMBATTING PICORNAVIRUSES STERLING WINTHROP, INC. (US) 1996-10-22 US disclosed
US-5552420-A TREATING PICORNAVIRAL INFECTIONS STERLING WINTHROP INC. (US) 1996-09-03 US disclosed
US-5514679-A TREATMENT OF PICORNAVIRUS INFECTIONS STERLING WINTHROP INC. (US) 1996-05-07 US disclosed
WO-1995031439-A1 THERAPEUTIC PHENOXYALKYLPYRIDAZINES AND INTERMEDIATES THEREFOR SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed
WO-1995031438-A1 THERAPEUTIC PHENOXYALKYLHETEROCYCLES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed
WO-1995031452-A1 THERAPEUTIC PHENOXYALKYLAZOLES AND PHENOXYALKYLAZINES SANOFI WINTHROP, INC. (US) 1995-11-23 WO disclosed
US-5364865-A Phenoxy- and phenoxyalkyl-piperidines as antiviral agents STERLING WINTHROP INC. (US) 1994-11-15 US disclosed
EP-0605031-A1 Phenoxy- and phenoxyalkyl-piperidines as antiviral agents STERLING WINTHROP INC. (US) 1994-07-06 EP disclosed
US-5242924-A Tetrazolyl-(phenoxy and phenoxyalkyl)-piperidinylpyridazines as antiviral agents STERLING WINTHROP INC. (US) 1993-09-07 US disclosed