SCHEMBL16598803

SCHEMBL16598803

O=C(c1cnc2ccccc2c1)N1CCN(Cc2ccc(Cl)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 9/20 0.64
▸ NPC1 O15118 1/20 0.57
▸ GPR183 P32249 1/20 0.55
▸ PRKAB2 O43741 1/20 0.55
▸ PRKAG1 P54619 1/20 0.55
▸ PRKAA2 P54646 1/20 0.55
▸ PRKAA1 Q13131 1/20 0.55
▸ PRKAG3 Q9UGI9 1/20 0.55
▸ PRKAG2 Q9UGJ0 1/20 0.55
▸ PRKAB1 Q9Y478 1/20 0.55
▸ CCR3 P51677 1/20 0.55
▸ LSS P48449 2/20 0.54
▸ ADORA2A P29274 1/20 0.52
▸ ADORA1 P30542 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL12438404 0.92 NPC1 (0.56) FAAHNPC1PRKAB2PRKAG1PRKAA2
SCHEMBL12438396 0.91 NPC1 (0.57) FAAHNPC1PRKAB2PRKAG1PRKAA2
SCHEMBL1135024 0.90 NPC1 (0.56) FAAHNPC1PRKAB2PRKAG1PRKAA2
SCHEMBL2219964 0.90 GPR183 (0.57) FAAHNPC1GPR183PRKAB2PRKAG1
SCHEMBL12438409 0.90 NPC1 (0.56) FAAHNPC1PRKAB2PRKAG1PRKAA2
SCHEMBL13645262 0.90 NPC1 (0.56) FAAHNPC1PRKAB2PRKAG1PRKAA2
SCHEMBL12513600 0.90 FAAH (0.63) FAAHNPC1PRKAB2PRKAG1PRKAA2
SCHEMBL2220446 0.87 NPC1 (0.53) FAAHNPC1PRKAB2PRKAG1PRKAA2
SCHEMBL16598448 0.83 KDM4E (0.66) MEN1LMNAKMT2ASMN1; SMN2L3MBTL1
SCHEMBL16599203 0.81 MEN1 (0.66) FAAHNPC1PRKAB2PRKAG1PRKAA2

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
WO-2015048570-A2 EBI2 MODULATORS SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2015-04-02 — — WO disclosed
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