SCHEMBL7728512

SCHEMBL7728512

Cc1ccc(CNNC(C)c2ccc(C)cc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
TRPA1 O75762 1/20 0.37
LMNA P02545 1/20 0.37
CHRM1 P11229 1/20 0.37
SLC6A2 P23975 1/20 0.37
ADRA1A P35348 1/20 0.37
HTR2B P41595 1/20 0.37
GPR139 Q6DWJ6 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM2 P08172 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MCHR1 Q99705 1/20 0.34
ADRB2 P07550 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
SCHEMBL5267270 0.83 SMN1; SMN2 (0.54) POLBSMN1; SMN2ALDH1A1CHRM2KDM4E
SCHEMBL7725659 0.79 SMN1; SMN2 (0.37) POLBSMN1; SMN2MEN1KMT2A
SCHEMBL7728377 0.79 POLB (0.44) POLBSMN1; SMN2LMNAGPR139ALDH1A1
SCHEMBL7729289 0.79 SMN1; SMN2 (0.37) POLBSMN1; SMN2TRPA1LMNACHRM1
SCHEMBL5266343 0.78 SMN1; SMN2 (0.49) POLBSMN1; SMN2LMNAALDH1A1MEN1
SCHEMBL7728348 0.77 SMN1; SMN2 (0.38) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7194394 0.75 SMN1; SMN2 (0.45) POLBSMN1; SMN2MEN1KMT2AADRB2
SCHEMBL11884336 0.73 SMN1; SMN2 (0.58) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7193740 0.73 P2RX7 (0.44) SMN1; SMN2LMNAALDH1A1MEN1KMT2A
SCHEMBL5268596 0.73 CASR (0.55) SMN1; SMN2LMNAALDH1A1MEN1KMT2A

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