SCHEMBL28778491

SCHEMBL28778491

CCN1CCN(Cc2ccc(NC(=O)N3CCC(C(=O)Nc4cccc(F)c4)CC3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 5/20 0.58
▸ MEN1 O00255 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ CCR3 P51677 1/20 0.56
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HSD17B10 Q99714 1/20 0.53
▸ NPC1 O15118 2/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ MGLL Q99685 1/20 0.52
▸ ALPL P05186 1/20 0.51
▸ ALPI P09923 1/20 0.51
▸ ALPG P10696 1/20 0.51

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 0.90 FAAH (0.61) FAAHMEN1KMT2ACCR3NPC1
SCHEMBL28778465 0.90 SMN1; SMN2 (0.61) FAAHMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL28778471 0.85 FAAH (0.61) FAAHKMT2ASMN1; SMN2POLB
SCHEMBL20219013 0.84 KDM4E (0.62) MEN1KMT2ACCR3SMN1; SMN2HSD17B10
SCHEMBL28778498 0.83 FAAH (0.64) FAAHKMT2A
SCHEMBL20236305 0.81 FAAH (0.64) FAAHSMN1; SMN2HSD17B10NPC1POLB
SCHEMBL28778469 0.79 FAAH (0.77) FAAHNPC1TP53POLBRAB9A
SCHEMBL28778484 0.79 SMN1; SMN2 (0.75) FAAHMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL29769956 0.74 RAB9A (0.70) FAAHMEN1KMT2ASMN1; SMN2NPC1
SCHEMBL13148325 0.74 FAAH (0.86) FAAH

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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