SCHEMBL11678610

SCHEMBL11678610

NCCCC(=O)c1ccc2c(c1)Cc1cc(C(=O)CCCN)ccc1-2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 3/20 0.53
▸ MAPT P10636 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ SRD5A2 P31213 3/20 0.47
▸ HSD17B1 P14061 1/20 0.46
▸ DRD2 P14416 1/20 0.44
▸ ADRA1D P25100 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ HTR2C P28335 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ ADRA1B P35368 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ KCNH2 Q12809 1/20 0.41
▸ CTNNB1 P35222 1/20 0.40
▸ WNT3A P56704 1/20 0.40
▸ SRD5A1 P18405 2/20 0.39
▸ SMYD3 Q9H7B4 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
Hydrochloric Acid SCHEMBL11678799 0.98 RAB9A (0.51) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL2938985 0.83 RAB9A (0.58) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL11677470 0.83 RAB9A (0.53) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL11678805 0.81 L3MBTL1 (0.54) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL10008853 0.81 HSD17B3 (0.57) RAB9ANPC1MAPTKDM4EL3MBTL1
Hydrochloric Acid SCHEMBL11865927 0.81 MAPK1 (0.41) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL4583779 0.80 HSD17B3 (0.58) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL21610337 0.80 HSD17B3 (0.58) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL11780746 0.79 NPC1 (0.53) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL1114930 0.79 RAB9A (0.56) RAB9ANPC1MAPTKDM4EL3MBTL1

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
US-4064347-A Bis-basic ketones of fluorene and fluorenone RICHARDSON-MERRELL INC. (US) 1977-12-20 — — US disclosed
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