SCHEMBL21799977

SCHEMBL21799977

CCC(C)(C)CNCc1ccccc1CN

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PNMT P11086 1/20 0.38
▸ CYP2D6 P10635 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ MEN1 O00255 3/20 0.33
▸ KMT2A Q03164 3/20 0.33
▸ RIPK1 Q13546 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CHRM2 P08172 3/20 0.33
▸ DPP4 P27487 2/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ CA12 O43570 1/20 0.32
▸ CA2 P00918 1/20 0.32

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
SCHEMBL21799811 0.84 PNMT (0.38) PNMTCYP2D6TSHRHIF1AMEN1
SCHEMBL21799542 0.77 GAA (0.46) PNMTCYP2D6TSHRHIF1AGAA
SCHEMBL21799601 0.75 PNMT (0.41) PNMTMEN1KMT2ARIPK1DPP4
SCHEMBL21799514 0.75 PNMT (0.41) PNMTRIPK1DPP4PIM1
SCHEMBL21800101 0.75 ANPEP (0.39) CYP2D6TSHRMEN1KMT2ALMNA
SCHEMBL23474625 0.74 MEN1 (0.50) MEN1KMT2ARIPK1GAACHRM2
SCHEMBL21799745 0.74 SLC6A4 (0.47) TSHRCHRM2CA12CA2SLC6A4
SCHEMBL21799554 0.74 CHRM2 (0.40) TSHRCHRM2CA12CA2SLC6A2
SCHEMBL21799452 0.73 NOS1 (0.38) PNMTCYP2D6MEN1KMT2ANPSR1
SCHEMBL21800025 0.72 HTT (0.43) PNMTCYP2D6HIF1AMEN1KMT2A

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-11124593-B2 Modified block copolymer, method for producing modified block copolymer, and resin composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2021-09-21 — — US disclosed
US-20200199282-A1 Modified Block Copolymer, Method for Producing Modified Block Copolymer, and Resin Composition ASAHI KASEI KABUSHIKI KAISHA (JP) 2020-06-25 — — US disclosed
EP-3623398-A1 MODIFIED BLOCK COPOLYMER, METHOD FOR PRODUCING MODIFIED BLOCK COPOLYMER, AND RESIN COMPOSITION Asahi Kasei Kabushiki Kaisha (JP) 2020-03-18 — — EP disclosed
Send feedback