SCHEMBL7686598

SCHEMBL7686598

Nc1nccn1Cc1ccc(F)cc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
TYMP P19971 1/20 0.47
CYP19A1 P11511 1/20 0.46
CYP11B1 P15538 1/20 0.46
CYP11B2 P19099 1/20 0.46
MAPT P10636 2/20 0.45
THRB P10828 1/20 0.45
DBH P09172 1/20 0.44
WDR5 P61964 1/20 0.43
KCNH2 Q12809 3/20 0.43
LMNA P02545 3/20 0.42
TLR8 Q9NR97 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SLC2A1 P11166 1/20 0.41

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
SCHEMBL7508654 0.84 MEN1 (0.51) CYP19A1CYP11B1CYP11B2MAPTTHRB
SCHEMBL7670390 0.82 ALDH1A1 (0.44) TYMPDBHKCNH2LMNATLR8
SCHEMBL1126356 0.81 HSD17B10 (0.51) CYP11B1CYP11B2KCNH2LMNATLR8
SCHEMBL28617449 0.80 GRM2 (0.52) RAB9ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL22309074 0.79 RAB9A (0.46) RAB9ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL9836342 0.79 RAB9A (0.48) RAB9ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL7499950 0.78 LMNA (0.68) MAPTLMNA
SCHEMBL10642915 0.77 RAB9A (0.47) RAB9ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL22310251 0.77 RAB9A (0.48) RAB9ACYP19A1CYP11B1CYP11B2MAPT
SCHEMBL22309903 0.76 RAB9A (0.49) RAB9ACYP19A1CYP11B1CYP11B2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1131854-C 1-(1,2-disubstituted piperidinyl)-4-substituted piperidine derivatives as tachykinin receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2003-12-24 CN disclosed
US-6346540-B1 SUBSTANCE P ANTAGONISTS FOR TREATING CENTRAL NERVOUS SYSTEM, PSYCHOLOGICAL AND BRAIN DISORDERS JANSSEN PHARMACEUTICA N.V. (BE) 2002-02-12 US disclosed
EP-0855999-B1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2001-10-04 EP disclosed
US-6169097-B1 1-(1,2-Disubstituted piperidinyl)-4-substituted piperidine derivatives JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-02 US disclosed
CN-1206406-A 1-(1,2-disubstituted piperidinyl)-4-substituted piperidine derivatives as tachykinin receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 1999-01-27 CN disclosed
EP-0855999-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1998-08-05 EP disclosed
WO-1997024324-A1 1-(1,2-DISUBSTITUTED PIPERIDINYL)-4-SUBSTITUTED PIPERIDINE DERIVATIVES AS TACHYKININ RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 1997-07-10 WO disclosed