SCHEMBL20182980

SCHEMBL20182980

Fc1cnc(N2CCCCC2)nc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.46
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
GAA P10253 1/20 0.42
CYP2C9 P11712 1/20 0.42
DRD2 P14416 1/20 0.42
HTR1A P08908 2/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL24126297 0.98 SIGMAR1 (0.46) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL18248348 0.80 SIGMAR1 (0.44) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL18248327 0.80 SIGMAR1 (0.44) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL30775408 0.78 KDM4E (0.61) SIGMAR1POLBKDM4ETSHR
SCHEMBL8275473 0.78 SIGMAR1 (0.50) SIGMAR1SMN1; SMN2KDM4ECYP1A2GAA
SCHEMBL19983438 0.78 SIGMAR1 (0.46) SIGMAR1KDM4ECYP1A2GAACYP2C9
SCHEMBL2274356 0.78 ALDH1A1 (0.59) SIGMAR1SMN1; SMN2KDM4ECYP1A2CYP2C9
SCHEMBL7477665 0.78 KDM4E (0.62) SIGMAR1POLBKDM4ECYP1A2GAA
SCHEMBL10085632 0.77 SMN1; SMN2 (0.50) POLBSMN1; SMN2TSHR
SCHEMBL13798271 0.77 TSHR (0.45) POLBSMN1; SMN2TSHR

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
EP-3541802-B1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2025-01-01 EP disclosed
EP-3541792-B1 TRIAZOLE FURAN COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-12-23 EP disclosed
WO-2018093576-A1 ALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2018-05-24 WO disclosed