SCHEMBL8892348

SCHEMBL8892348

CC1C[CH]CC(C)N1Cc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
CHRM5 P08912 1/20 0.47
ACHE P22303 1/20 0.47
MAPT P10636 1/20 0.45
SIGMAR1 Q99720 3/20 0.43
BRD4 O60885 2/20 0.43
LMNA P02545 2/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
MC4R P32245 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.40
EHMT2 Q96KQ7 1/20 0.40
SMO Q99835 2/20 0.40
FUCA1 P04066 1/20 0.39

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
SCHEMBL11144165 0.83 ACHE (0.55) CHRM2CHRM4CHRM5ACHEMAPT
SCHEMBL20811168 0.83 CHRM2 (0.55) CHRM2CHRM4CHRM5ACHEMAPT
SCHEMBL20797832 0.83 CHRM2 (0.55) CHRM2CHRM4CHRM5ACHEMAPT
SCHEMBL10077401 0.83 ACHE (0.55) CHRM2CHRM4CHRM5ACHEMAPT
SCHEMBL18557 0.80 LTA4H (0.54) CHRM2CHRM4CHRM5ACHEMAPT
SCHEMBL17055247 0.80 LTA4H (0.54) CHRM2CHRM4CHRM5ACHEMAPT
SCHEMBL3165425 0.78 MC4R (0.48) CHRM2CHRM4CHRM5ACHEMAPT
SCHEMBL20432698 0.78 HTR2C (0.50) CHRM2CHRM4CHRM5ACHEMAPT
SCHEMBL17086789 0.78 HTR2C (0.50) CHRM2CHRM4CHRM5ACHEMAPT
SCHEMBL4108849 0.78 CHRM2 (0.46) CHRM2CHRM4CHRM5ACHEMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2697198-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-02-19 EP disclosed
WO-2012142513-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2012-10-18 WO disclosed
US-5599791-A BACTERICIDE ACTIVE AGAINST GRAMNEGATIVE AND GRAMPOSITIVE BACTERIA GRUPPO LEPETIT SPA (IT) 1997-02-04 US disclosed
WO-1992012172-A9 AMIDES OF ANTIBIOTIC GE 2270 FACTORS 1996-04-04 WO disclosed
EP-0565567-B1 AMIDES OF ANTIBIOTIC GE 2270 FACTORS LEPETIT SPA (IT) 1995-01-18 EP disclosed
EP-0565567-A1 AMIDES OF ANTIBIOTIC GE 2270 FACTORS. LEPETIT SPA (IT) 1993-10-20 EP disclosed
WO-1992012172-A1 AMIDES OF ANTIBIOTIC GE 2270 FACTORS GRUPPO LEPETIT S.P.A. (IT) 1992-07-23 WO disclosed
EP-0494078-A1 Amides of antibiotic ge 2270 factors GRUPPO LEPETIT S.p.A. (IT) 1992-07-08 EP disclosed