SCHEMBL3402294

SCHEMBL3402294

Cc1cccc(C)c1-c1nc(C)c(C(=O)NCCC2CCCN2C)s1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 4/20 0.56
ACKR3 P25106 3/20 0.53
LCK P06239 1/20 0.47
BTK Q06187 1/20 0.43
POLR1A O95602 1/20 0.43
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
GLS O94925 1/20 0.41
EED O75530 1/20 0.41
PPARA Q07869 2/20 0.41
SCD O00767 1/20 0.41
PPARD Q03181 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40

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
SCHEMBL3405415 0.90 CHRM4 (0.54) CHRM4ACKR3LCKBTKPOLR1A
SCHEMBL3399763 0.89 CHRM4 (0.51) CHRM4ACKR3LCKBTKPOLR1A
SCHEMBL3405145 0.84 CHRM4 (0.52) CHRM4ACKR3LCKBTKPOLR1A
SCHEMBL3399952 0.84 CHRM4 (0.55) CHRM4ACKR3LCKBTKPOLR1A
SCHEMBL3405874 0.84 CHRM4 (0.56) CHRM4ACKR3LCKPOLR1APPARA
SCHEMBL3400075 0.84 ACKR3 (0.54) CHRM4ACKR3BTKNPC1HPGD
SCHEMBL3401222 0.83 CHRM4 (0.56) CHRM4ACKR3LCKBTKPOLR1A
SCHEMBL3405398 0.83 ACKR3 (0.55) CHRM4ACKR3NPC1HPGDPPARA
SCHEMBL3402412 0.83 ACKR3 (0.53) CHRM4ACKR3LCKNPC1HPGD
SCHEMBL3405442 0.83 ACKR3 (0.59) CHRM4ACKR3BTKNPC1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed
US-7728009-B1 Thiazole amides, imidazole amides and related analogues NEUROGEN CORPORATION (US) 2010-06-01 US disclosed