SCHEMBL300549

SCHEMBL300549

O=C(NCc1ccccc1)Oc1nn(C2CCCCC2)c2c1CCCCC2Cc1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
ALDH1A1 P00352 4/20 0.39
CCR3 P51677 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
MCL1 Q07820 1/20 0.38
CTDSP1 Q9GZU7 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
SCHEMBL300734 0.93 ALDH1A1 (0.38) THRBALDH1A1L3MBTL1
SCHEMBL300472 0.91 PDE9A (0.38) CCR3POLBRAB9ASMN1; SMN2
SCHEMBL300693 0.86 CNR1 (0.40) CCR3POLB
SCHEMBL300469 0.85 CYP3A4 (0.40) ALDH1A1KDM4E
SCHEMBL176706 0.85 THRB (0.47) THRBALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL300526 0.85 GLA (0.39) ALDH1A1CCR3TSHRPOLBRAB9A
SCHEMBL300521 0.84 CNR2 (0.43)
SCHEMBL300546 0.81 VIPR2 (0.36)
SCHEMBL300360 0.79 CNR2 (0.46) THRBPOLBMEN1KMT2A
SCHEMBL300713 0.79 CNR2 (0.44) ALDH1A1CCR3TSHRPOLBRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937259-B1 HEXAHYDRO-CYCLOHEPTAPYRAZOLE CANNABINOID MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2011-11-23 EP claimed