SCHEMBL7302889

SCHEMBL7302889

O=C(NCCN1CCC(C(=O)c2ccc(F)cc2)CC1)Nc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
CCR3 P51677 1/20 0.61
CYP1A2 P05177 2/20 0.60
CYP3A4 P08684 2/20 0.60
CYP2D6 P10635 2/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
KDM4E B2RXH2 1/20 0.59
HTR2A P28223 1/20 0.59
MEN1 O00255 1/20 0.59
POLB P06746 1/20 0.59
KMT2A Q03164 1/20 0.59

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
SCHEMBL9616856 0.85 HTR2A (0.63) LMNASMN1; SMN2CCR3CYP1A2CYP3A4
SCHEMBL5757156 0.83 HTR2A (0.69) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL10712804 0.82 HTR2A (0.66) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL227314 0.82 TP53 (0.64) LMNASMN1; SMN2CCR3CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL10715815 0.81 HTR2A (0.64) LMNASMN1; SMN2HTTHTR2A
SCHEMBL14318600 0.79 HTR2A (0.81) LMNASMN1; SMN2CYP1A2CYP3A4CYP2D6
SCHEMBL11191382 0.79 HTR2A (0.67) CCR3CYP1A2CYP3A4CYP2D6KDM4E
SCHEMBL227492 0.78 MAPT (0.67) LMNASMN1; SMN2CCR3CYP1A2CYP2C9
SCHEMBL11011779 0.78 HSD11B1 (0.62) CYP1A2CYP3A4CYP2D6KDM4EHTR2A
SCHEMBL6300904 0.78 CCR3 (0.62) LMNACCR3HTR2AMEN1POLB

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
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed