SCHEMBL28507435

SCHEMBL28507435

NCCCC(C(=O)O)N(C(=O)OCc1cccc2c1Cc1ccccc1-2)C(=O)OCc1cccc2c1Cc1ccccc1-2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.44
▸ HTR7 P34969 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ TPSAB1 Q15661 2/20 0.33
▸ TPSD1 Q9BZJ3 2/20 0.33
▸ TPSG1 Q9NRR2 2/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ EPOR P19235 2/20 0.33
▸ DRD2 P14416 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ DRD3 P35462 2/20 0.33
▸ SLC1A3 P43003 2/20 0.31
▸ SLC1A2 P43004 2/20 0.31
▸ SLC1A1 P43005 2/20 0.31
▸ ACE P12821 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30
▸ MMP12 P39900 1/20 0.30

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
SCHEMBL22804084 1.00 PNMT (0.44) PNMTHTR7HTR2BTPSAB1TPSD1
SCHEMBL28503693 0.97 PNMT (0.43) PNMTHTR7HTR2BTPSAB1TPSD1
SCHEMBL28505627 0.96 PNMT (0.41) PNMTTPSAB1TPSD1TPSG1EPOR
SCHEMBL28506571 0.94 TPSAB1 (0.41) PNMTHTR7HTR2BTPSAB1TPSD1
SCHEMBL22804103 0.93 PNMT (0.40) PNMTTPSAB1TPSD1TPSG1EPOR
SCHEMBL22804117 0.93 PNMT (0.40) PNMTTPSAB1TPSD1TPSG1EPOR
SCHEMBL28505614 0.93 PNMT (0.40) PNMTTPSAB1TPSD1TPSG1EPOR
SCHEMBL28303294 0.93 PNMT (0.38) PNMTHTR7HTR2BTPSAB1TPSD1
SCHEMBL27929644 0.91 PNMT (0.43) PNMTHTR7HTR2BNPC1RAB9A
SCHEMBL29637206 0.91 TPSAB1 (0.42) PNMTHTR7HTR2BTPSAB1TPSD1

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-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 — — CN claimed
CN-112110834-A Modified hydrophobic auxiliary material and preparation method and application thereof 浙江智达药业有限公司 2020-12-22 — — CN disclosed
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