SCHEMBL29675400

SCHEMBL29675400

COc1ccc(NC(=O)NCc2ccc(OCCN3CCN(c4ccc(OC)cc4)CC3)c(OC)c2)cc1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 1/20 0.62
▸ GFER P55789 4/20 0.60
▸ NPC1 O15118 1/20 0.60
▸ LMNA P02545 3/20 0.58
▸ SMN1; SMN2 Q16637 2/20 0.58
▸ MAPT P10636 3/20 0.58
▸ TP53 P04637 1/20 0.58
▸ POLB P06746 1/20 0.57
▸ KDM4E B2RXH2 1/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ MCHR1 Q99705 2/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ REV1 Q9UBZ9 1/20 0.51
▸ ALOX15 P16050 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HTR2A P28223 1/20 0.48
▸ HTR2C P28335 1/20 0.48

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
SCHEMBL28631507 1.00 RXFP1 (0.62) RXFP1GFERNPC1LMNASMN1; SMN2
SCHEMBL29675413 0.97 RXFP1 (0.58) RXFP1GFERNPC1LMNASMN1; SMN2
SCHEMBL28624586 0.97 RXFP1 (0.58) RXFP1GFERNPC1LMNASMN1; SMN2
SCHEMBL28627158 0.93 RXFP1 (0.55) RXFP1GFERNPC1LMNASMN1; SMN2
SCHEMBL29675429 0.93 RXFP1 (0.55) RXFP1GFERNPC1LMNASMN1; SMN2
SCHEMBL29675301 0.93 RXFP1 (0.57) RXFP1GFERNPC1LMNASMN1; SMN2
SCHEMBL28616264 0.93 RXFP1 (0.57) RXFP1GFERNPC1LMNASMN1; SMN2
SCHEMBL29675280 0.90 LMNA (0.54) RXFP1GFERNPC1LMNASMN1; SMN2
SCHEMBL28624564 0.90 LMNA (0.54) RXFP1GFERNPC1LMNASMN1; SMN2
SCHEMBL29675324 0.88 GFER (0.59) RXFP1GFERNPC1LMNASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113292515-B Urea compound containing piperazine group and preparation method and application thereof 沈阳药科大学 2022-05-20 — — CN claimed
CN-113292515-B Urea compound containing piperazine group and preparation method and application thereof 沈阳药科大学 2022-05-20 — — CN disclosed
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