SCHEMBL28759334

SCHEMBL28759334

CN(C)c1cc(N[C@H]2CC[C@@H](N(Cc3ccccc3Cl)C(N)=O)CC2)nc2ccccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 5/20 0.42
ADRA2A P08913 4/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2D6 P10635 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CAMK2D Q13557 2/20 0.37
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
G6PD P11413 1/20 0.36
TP53 P04637 2/20 0.35
MC4R P32245 1/20 0.35
MC5R P33032 1/20 0.35

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
SCHEMBL28759336 1.00 MCHR1 (0.42) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2
SCHEMBL6879692 0.93 MCHR1 (0.43) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2
SCHEMBL6879698 0.93 MCHR1 (0.43) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2
SCHEMBL27632408 0.90 MCHR1 (0.43) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2
SCHEMBL27632405 0.90 MCHR1 (0.43) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2
SCHEMBL27632493 0.90 MCHR1 (0.42) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2
SCHEMBL27632492 0.90 MCHR1 (0.42) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2
SCHEMBL27652704 0.84 MCHR1 (0.44) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2
SCHEMBL27652702 0.84 MCHR1 (0.44) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2
SCHEMBL27652790 0.84 MCHR1 (0.44) MCHR1ADRA2AMEN1KMT2ASMN1; SMN2

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
CN-1798736-A Novel quinoline, tetrahydroquinazoline and pyrimidine derivatives and methods of treatment related to their use ARENA PHARM INC (JP) 2006-07-05 CN disclosed