SCHEMBL5774355

SCHEMBL5774355

O=C(O)CCc1c2c(nn1-c1ccccc1)CCCC2

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
PTGS1 P23219 2/20 0.40
PTGS2 P35354 2/20 0.40
NTRK1 P04629 7/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
FFAR1 O14842 1/20 0.38
POLQ O75417 1/20 0.38

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
SCHEMBL5773019 0.88 RXRA (0.46) FABP4RXRARXRBRXRGPTGS1
SCHEMBL5775162 0.84 FFAR4 (0.45) NTRK1KDM4EALDH1A1
SCHEMBL5772957 0.76 POLB (0.55) RXRARXRBRXRGPOLBKDM4E
SCHEMBL15716269 0.72 NTRK1 (0.53) NTRK1
SCHEMBL11635985 0.70 PTGS2 (0.49) PTGS1PTGS2KDM4EALDH1A1
SCHEMBL1094177 0.70 PTGS2 (0.47) NPC1RAB9APTGS1PTGS2KDM4E
SCHEMBL11640395 0.70 PTGS2 (0.47) PTGS1PTGS2ALDH1A1
SCHEMBL11635414 0.70 PTGS2 (0.47) PTGS1PTGS2POLBKDM4EPOLQ
SCHEMBL10479421 0.70 FABP4 (0.56) FABP4NPC1RAB9ARXRARXRB
SCHEMBL13858506 0.69 NTRK1 (0.55) NTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885883-B1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF MITSUBISHI PHARMA CORP (JP) 2006-11-02 EP disclosed
US-6187774-B1 N-PIPERAZINYLALKYLINDAZOLE DERIVATIVES; PSYCHOLOGICAL DISORDERS, SCHIZOPHRENIA; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2001-02-13 US disclosed
EP-0885883-A1 FUSED HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL APPLICATIONS THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1998-12-23 EP disclosed