SCHEMBL11179693

SCHEMBL11179693

CC1CCC(NC(C=Cc2ccccc2)=NC#N)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.39
▸ CNR2 P34972 1/20 0.39
▸ RAB9A P51151 4/20 0.36
▸ LMNA P02545 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ HTR2A P28223 1/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ SMN1; SMN2 Q16637 4/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ GRM5 P41594 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34

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
SCHEMBL11194423 1.00 CNR1 (0.39) CNR1CNR2RAB9ALMNAMEN1
SCHEMBL11187447 0.87 USP2 (0.44) CNR1RAB9ALMNAKMT2APOLB
SCHEMBL11187443 0.87 USP2 (0.44) CNR1RAB9ALMNAKMT2APOLB
SCHEMBL11183917 0.86 RAB9A (0.48) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL11183921 0.86 RAB9A (0.48) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL11184009 0.85 POLB (0.36) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL11184012 0.85 POLB (0.36) RAB9ALMNAMEN1KMT2APOLB
SCHEMBL11178349 0.85 RAB9A (0.45) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL11178351 0.85 RAB9A (0.45) RAB9ALMNAMEN1KMT2ANPC1
SCHEMBL11182907 0.83 RAB9A (0.48) CNR1RAB9ALMNAMEN1KMT2A

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-4407816-A ANTIULCER KOTOBUKI SEIYAKU COMPANY LIMITED (JP) 1983-10-04 — — US disclosed
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