SCHEMBL173006

SCHEMBL173006

CN(C)CCN(Cc1cccc(CN)c1)Cc1cccc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.43
CAMKK2 Q96RR4 1/20 0.43
TAAR1 Q96RJ0 2/20 0.38
HTT P42858 1/20 0.37
RIPK1 Q13546 1/20 0.37
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 4/20 0.37
TSHR P16473 1/20 0.37
NOS3 P29474 2/20 0.35
NOS1 P29475 2/20 0.35
NOS2 P35228 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
MAOB P27338 2/20 0.33
AOC3 Q16853 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
KEAP1 Q14145 1/20 0.33
NFE2L2 Q16236 1/20 0.33

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
SCHEMBL13061111 0.88 CALM1 (0.44) CALM1CAMKK2TAAR1HTTRIPK1
SCHEMBL13005575 0.85 CALM1 (0.41) CALM1CAMKK2TAAR1HTTRIPK1
SCHEMBL24899621 0.76 CALM1 (0.46) CALM1CAMKK2TAAR1HTTALDH1A1
SCHEMBL13005676 0.76 CALM1 (0.45) CALM1CAMKK2TAAR1HTTKDM4E
SCHEMBL13061135 0.72 CALM1 (0.44) CALM1CAMKK2TAAR1HTTKDM4E
SCHEMBL13005634 0.72 CALM1 (0.42) CALM1CAMKK2TAAR1HTTKDM4E
SCHEMBL171456 0.72 CALM1 (0.46) CALM1CAMKK2BCHE
SCHEMBL2464280 0.70 ALDH1A1 (0.54) TAAR1ALDH1A1TSHRNOS3NOS1
SCHEMBL13060692 0.70 TAAR1 (0.57) CALM1CAMKK2TAAR1HTTRIPK1
SCHEMBL13060704 0.69 CALM1 (0.49) CALM1CAMKK2KDM4EALDH1A1TSHR

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
EP-1768966-B1 COUMPOUNDS AND METHODS FOR INHIBITING THE INTERACTION OF BCL PROTEINS WITH BINDING PARTNERS INFINITY DISCOVERY INC (US) 2012-03-07 EP disclosed