SCHEMBL7401884

SCHEMBL7401884

Cc1ccc(C(=O)c2ccncc2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.49
CYP46A1 Q9Y6A2 1/20 0.44
CCR9 P51686 1/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
LOXL2 Q9Y4K0 1/20 0.42
PTGS2 P35354 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
LMNA P02545 1/20 0.41
PDE4B Q07343 1/20 0.40

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
SCHEMBL9422049 0.86 ALDH1A1 (0.56) MAPTNPC1MAPK1HTTSMN1; SMN2
SCHEMBL9327289 0.83 AKR1C3 (0.51) MAPTNPC1MAPK1HTTMEN1
SCHEMBL14099187 0.83 LMNA (0.50) LTA4HMAPTNPC1MAPK1HTT
SCHEMBL8801902 0.83 LTA4H (0.61) LTA4HMAPTHTTMEN1KMT2A
SCHEMBL9726681 0.82 CSNK2A1 (0.47) MAPTNPC1MAPK1HTTMEN1
SCHEMBL20157966 0.80 LMNA (0.49) LTA4HCYP46A1CCR9MAPTNPC1
SCHEMBL17358779 0.80 MAPT (0.67) MAPTNPC1MAPK1HTTMEN1
SCHEMBL5286383 0.80 MAPT (0.50) LTA4HCYP46A1CCR9MAPTNPC1
SCHEMBL10112157 0.80 LMNA (0.58) LTA4HCCR9MAPTNPC1MEN1
SCHEMBL12121068 0.76 HTT (0.63) HTTKMT2ASMN1; SMN2LOXL2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6124323-A ACTIVE DRUG TREATING STROKE, CEREBRAL ISCHEMIA, CENTRAL NERVOUS SYSTEM TRAUMA, HYPOGLYCEMIA, ANXIETY, CONVULSIONS, AMIOGLYCOSIDE ANTIBIOTICS-INDUCED HEARING LOSS, MIGRAINE HEADACHES, CHRONIC PAIN, GLAUCOMA, CMV RETINITIS, PSYCHOSIS WARNER-LAMBERT COMPANY (US) 2000-09-26 US disclosed
EP-0869792-A4 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER LAMBERT CO (US) 1999-09-22 EP disclosed
EP-0869792-A2 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1998-10-14 EP disclosed
WO-1997023216-A1 4-SUBSTITUTED PIPERIDINE ANALOGS AND THEIR USE AS SUBTYPE SELECTIVE NMDA RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1997-07-03 WO disclosed