SCHEMBL9556642

SCHEMBL9556642

O=C(CCCCc1ccccc1)N1CC=CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ SIGMAR1 Q99720 2/20 0.56
▸ NAAA Q02083 4/20 0.55
▸ NPC1 O15118 2/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ FAAH O00519 2/20 0.54
▸ RAB9A P51151 1/20 0.52
▸ AR P10275 1/20 0.51
▸ HDAC1 Q13547 2/20 0.50
▸ HDAC2 Q92769 2/20 0.50
▸ FKBP1A P62942 1/20 0.50
▸ ALOX5 P09917 1/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ ADRA1A P35348 1/20 0.50
▸ HDAC4 P56524 1/20 0.50
▸ SLC6A3 Q01959 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ HDAC7 Q8WUI4 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
SCHEMBL9556926 0.95 NPC1 (0.57) MAPTRXFP1SIGMAR1NAAANPC1
SCHEMBL9557179 0.90 MAOA (0.52) MAPTRXFP1SIGMAR1NAAANPC1
SCHEMBL9557053 0.88 NAAA (0.53) MAPTRXFP1SIGMAR1NAAANPC1
SCHEMBL9557168 0.84 NPC1 (0.54) MAPTSIGMAR1NAAANPC1TDP1
SCHEMBL9557028 0.83 NAAA (0.58) MAPTNAAAHDAC1HDAC2HDAC3
SCHEMBL7376148 0.82 NPC1 (0.76) NAAANPC1TDP1RAB9ASMN1; SMN2
SCHEMBL9557029 0.80 FKBP1A (0.56) SIGMAR1FKBP1AALOX5SMN1; SMN2
SCHEMBL1953978 0.80 FKBP1A (0.80) MAPTSIGMAR1NAAANPC1TDP1
SCHEMBL7447522 0.80 NAAA (0.58) MAPTSIGMAR1NAAANPC1TDP1
SCHEMBL9557071 0.80 NPC1 (0.58) MAPTSIGMAR1NAAANPC1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5198450-A PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR PREPARING THE SAME, AND USAGE OF THE SAME ZERIA PHARMACEUTICAL CO., LTD. (JP) 1993-03-30 — — US disclosed
EP-0424528-A1 PHENYLALKANOYLAMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND THEIR USES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 — — EP disclosed
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