SCHEMBL30142486

SCHEMBL30142486

Cc1ccc2c(c1)CN(C(=O)NCC(c1ccsc1)N(C)C)C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 2/20 0.45
NAMPT P43490 7/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
DPP7 Q9UHL4 1/20 0.39
OPRM1 P35372 7/20 0.38
OPRD1 P41143 5/20 0.38
OPRL1 P41146 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL30142490 1.00 ACKR3 (0.45) ACKR3NAMPTCHRNB2CHRNB4CHRNA3
SCHEMBL19925902 1.00 ACKR3 (0.45) ACKR3NAMPTCHRNB2CHRNB4CHRNA3
Hydrochloric Acid SCHEMBL19926210 0.99 ACKR3 (0.44) ACKR3NAMPTCHRNB2CHRNB4CHRNA3
SCHEMBL19926246 0.90 ACKR3 (0.45) ACKR3NAMPTCHRNB2CHRNB4CHRNA3
SCHEMBL30142519 0.90 ACKR3 (0.45) ACKR3NAMPTCHRNB2CHRNB4CHRNA3
Bromide SCHEMBL19926355 0.89 ACKR3 (0.44) ACKR3NAMPTCHRNB2CHRNB4CHRNA3
SCHEMBL21116504 0.89 ACKR3 (0.56) ACKR3NAMPTDPP8DPP9DPP7
SCHEMBL21116506 0.89 ACKR3 (0.56) ACKR3NAMPTDPP8DPP9DPP7
SCHEMBL30142472 0.89 ACKR3 (0.56) ACKR3NAMPTDPP8DPP9DPP7
SCHEMBL19926093 0.89 ACKR3 (0.44) ACKR3NAMPTCHRNB2CHRNB4CHRNA3

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-109843379-B Substituted ureas and methods of making and using the same 梅比斯发现公司 2022-12-30 CN disclosed