SCHEMBL21180887

SCHEMBL21180887

Cc1cccc2ccc(N3CCC(C(N)=O)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 7/20 0.53
▸ TDP1 Q9NUW8 2/20 0.51
▸ PDE10A Q9Y233 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ KDM4E B2RXH2 3/20 0.46
▸ ABL1 P00519 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HTR3A P46098 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ POLB P06746 1/20 0.43

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
SCHEMBL17714308 0.88 PTGES (0.53) PTGESPDE10AKDM4ELMNAPDE4D
SCHEMBL17714314 0.83 MAPT (0.52) PTGESPDE10AALDH1A1KDM4ELMNA
SCHEMBL31381324 0.80 TDP1 (0.60) TDP1ALDH1A1KDM4EABL1LMNA
SCHEMBL31381307 0.79 PDE10A (0.68) TDP1PDE10AALDH1A1KDM4EABL1
SCHEMBL31381213 0.77 PTGES (0.50) PTGESPDE10AHTR3A
SCHEMBL23714071 0.77 GAA (0.62) PTGESTDP1PDE10AKDM4EHTR3A
SCHEMBL10500278 0.76 ALDH1A1 (0.57) TDP1ALDH1A1KDM4EPKMPOLB
SCHEMBL4704790 0.75 SMN1; SMN2 (0.51) TDP1PDE10AALDH1A1KDM4EABL1
SCHEMBL17714481 0.75 PTGES (0.73) PTGESPDE10AALDH1A1KDM4EHTR3A
SCHEMBL17714315 0.75 PTGES (0.73) PTGESPDE10AALDH1A1KDM4EHTR3A

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-119497709-A Pyrimidine derivatives ASKA 制药株式会社 2025-02-21 — — CN disclosed
EP-3221304-B1 NOVEL CARBOXYLIC ACID COMPOUNDS USEFUL FOR INHIBITING MICROSOMAL PROSTAGLANDIN E2 SYNTHASE-1 LILLY CO ELI (US) 2019-07-24 — — EP disclosed
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