SCHEMBL7728339

SCHEMBL7728339

Cc1ccccc1CNC(C)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
CASR P41180 1/20 0.45
ADRB2 P07550 2/20 0.44
ADRB1 P08588 1/20 0.44
KDM4E B2RXH2 1/20 0.43
POLB P06746 1/20 0.41
CHRM2 P08172 1/20 0.40
MAPK14 Q16539 1/20 0.39
CXCR4 P61073 1/20 0.39
ADRA2C P18825 1/20 0.39
P2RX7 Q99572 2/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37

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
SCHEMBL5272934 0.85 CASR (0.41) LMNACASRADRB2ADRB1KDM4E
SCHEMBL5268055 0.80 ATM (0.54) LMNACASRKDM4EPOLBCHRM2
SCHEMBL5268049 0.80 LMNA (0.46) LMNACASRADRB2ADRB1POLB
SCHEMBL5266903 0.79 L3MBTL1 (0.56) LMNACASRKDM4EPOLBP2RX7
SCHEMBL5269254 0.78 ADRB2 (0.42) LMNACASRADRB2ADRB1POLB
SCHEMBL5270694 0.77 SMN1; SMN2 (0.59) LMNAADRB2ADRB1POLBCXCR4
SCHEMBL3679074 0.76 SMN1; SMN2 (0.57) LMNACASRKDM4ECHRM2NPC1
SCHEMBL3679075 0.76 SMN1; SMN2 (0.57) LMNACASRKDM4ECHRM2NPC1
SCHEMBL16039096 0.76 KDM4E (0.52) LMNAKDM4EPOLBHPGDALDH1A1
SCHEMBL607717 0.75 ADRA2C (0.58) LMNAADRB2ADRB1KDM4ECHRM2

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-6403832-B1 MIXING ACID WITH AMINE, PRECIPITATING SALT, AND FILTERING; GOOD OPTICAL PURITY SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2002-06-11 US disclosed