SCHEMBL18752850

SCHEMBL18752850

O=CCN1CCN(CC=O)CCN(C(CCCNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)C(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 11/20 0.45
▸ YAP1 P46937 1/20 0.44
▸ TEAD4 Q15561 1/20 0.44
▸ TEAD2 Q15562 1/20 0.44
▸ TRPV1 Q8NER1 1/20 0.43
▸ MAPT P10636 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ DRD3 P35462 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.37

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
SCHEMBL12801456 0.95 RXFP1 (0.50) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL18752846 0.90 LMNA (0.51) RXFP1TEAD4MAPTPOLBLMNA
SCHEMBL12801457 0.84 LMNA (0.54) RXFP1TEAD4MAPTPOLBLMNA
SCHEMBL16386151 0.82 MT-CO2 (0.43) MAPTADRA1ALMNACYP1A2CYP2C9
SCHEMBL12801807 0.75 MT-CO2 (0.48) MAPTADRA1ALMNACYP1A2CYP2C9
SCHEMBL18752851 0.72 RXFP1 (0.54) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL12606017 0.72 RXFP1 (0.67) RXFP1YAP1TEAD4TEAD2TRPV1
SCHEMBL16386398 0.72 APP (0.47) TRPV1ADRA1ALMNACYP2C9
SCHEMBL18752947 0.72 APP (0.47) TRPV1ADRA1ALMNACYP2C9
SCHEMBL13929951 0.70 RXFP1 (0.64) RXFP1YAP1TEAD4TEAD2TRPV1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940841-B9 COMPOUNDS COMPRISING A BIOLOGICAL TARGET RECOGNIZING PART, COUPLED TO A SIGNAL PART CAPABLE OF COMPLEXING GALLIUM GUERBET SA (FR) 2017-04-19 — — EP disclosed
Send feedback