SCHEMBL21180892

SCHEMBL21180892

NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.67
GAA P10253 1/20 0.65
TDP1 Q9NUW8 1/20 0.65
KDM4E B2RXH2 1/20 0.64
ABL1 P00519 1/20 0.64
LMNA P02545 1/20 0.64
CYP3A4 P08684 2/20 0.57
MAPT P10636 2/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
DEGS1 O15121 1/20 0.55
CA12 O43570 1/20 0.54
CA2 P00918 1/20 0.54
CA9 Q16790 1/20 0.54
PDK2 Q15119 1/20 0.52
AKR1C3 P42330 1/20 0.51
SERPINE1 P05121 1/20 0.49
CHRM2 P08172 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
SCHEMBL2071701 0.86 NOTUM (0.83) NOTUMCYP2C9CYP2C19DEGS1CA12
SCHEMBL5790870 0.84 NOTUM (0.67) NOTUMGAATDP1KDM4EABL1
SCHEMBL21180885 0.84 NOTUM (0.58) NOTUMGAATDP1KDM4EABL1
SCHEMBL12508733 0.83 NOTUM (0.69) NOTUMGAATDP1KDM4EABL1
SCHEMBL31381163 0.82 NOTUM (0.70) NOTUMGAATDP1KDM4EABL1
SCHEMBL25435393 0.82 NOTUM (0.64) NOTUMGAATDP1KDM4EABL1
SCHEMBL18395507 0.82 NOTUM (0.64) NOTUMTDP1KDM4ELMNAMAPT
Hydrochloric Acid SCHEMBL34469418 0.81 NOTUM (0.68) NOTUMGAATDP1KDM4EABL1
SCHEMBL21542280 0.81 NOTUM (0.62) NOTUMTDP1KDM4ELMNAMAPT
SCHEMBL23582498 0.81 NOTUM (0.48) NOTUMGAATDP1KDM4EABL1

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