SCHEMBL28778498

SCHEMBL28778498

CCN1CCN(Cc2ccc(NC(=O)N3CCC(C(=O)Nc4ccc(C(F)(F)F)cc4)CC3)cc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 1/20 0.64
▸ PRKAB2 O43741 8/20 0.63
▸ PRKAG1 P54619 8/20 0.63
▸ PRKAA2 P54646 8/20 0.63
▸ PRKAA1 Q13131 8/20 0.63
▸ PRKAG3 Q9UGI9 8/20 0.63
▸ PRKAG2 Q9UGJ0 8/20 0.63
▸ PRKAB1 Q9Y478 8/20 0.63
▸ HIF1A Q16665 2/20 0.53
▸ EPAS1 Q99814 2/20 0.53
▸ HTT P42858 1/20 0.51
▸ KMT2A Q03164 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ DNMT1 P26358 1/20 0.51
▸ EHMT2 Q96KQ7 1/20 0.51
▸ KCNH2 Q12809 1/20 0.50
▸ GPR119 Q8TDV5 1/20 0.50
▸ TRPV1 Q8NER1 1/20 0.50

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
SCHEMBL28778485 0.89 FAAH (0.61) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28778471 0.88 FAAH (0.61) FAAHHTTKMT2ATDP1TRPV1
SCHEMBL28778491 0.83 FAAH (0.58) FAAHKMT2A
SCHEMBL28778465 0.82 SMN1; SMN2 (0.61) FAAHKMT2ATRPV1
SCHEMBL17453740 0.78 FAAH (0.73) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL28778469 0.77 FAAH (0.77) FAAHPRKAB2PRKAG1PRKAA2PRKAA1
SCHEMBL29769956 0.77 RAB9A (0.70) FAAHKMT2A
SCHEMBL28363510 0.76 POLB (0.76) HTTKMT2ATDP1TRPV1
SCHEMBL23246064 0.75 RHOC (0.60) KMT2ATRPV1
SCHEMBL24529879 0.75 PRKAB2 (0.56) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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
CN-114751874-A 1-benzyl-4-ethylpiperazine derivatives as TRPV4-KCa2.3 coupling promoting agents and application thereof 江南大学 2022-07-15 — — CN disclosed
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