SCHEMBL9536800

SCHEMBL9536800

Cn1c(CC2CCNCC2)nc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 1/20 0.55
CRBN Q96SW2 1/20 0.55
LMNA P02545 3/20 0.51
KMT2A Q03164 1/20 0.51
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
GRM2 Q14416 3/20 0.49
DRD4 P21917 2/20 0.49
NPY1R P25929 2/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TAAR1 Q96RJ0 1/20 0.47
KDM4E B2RXH2 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
KCNH2 Q12809 1/20 0.46

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
Hydrochloric Acid SCHEMBL29232383 0.99 DDB1 (0.54) DDB1CRBNLMNAKMT2ADRD2
Hydrochloric Acid SCHEMBL30918533 0.99 DDB1 (0.54) DDB1CRBNLMNAKMT2ADRD2
Oxalic Acid SCHEMBL10800976 0.92 HDAC6 (0.52) DDB1CRBNLMNAKMT2ADRD2
Oxalic Acid SCHEMBL10800983 0.92 HDAC6 (0.52) DDB1CRBNLMNAKMT2ADRD2
SCHEMBL14685201 0.90 DDB1 (0.58) DDB1CRBNLMNAKMT2ADRD2
SCHEMBL1532834 0.84 MAPT (0.54) DDB1CRBNLMNAKMT2ADRD2
SCHEMBL8231533 0.83 LMNA (0.55) DDB1CRBNLMNAKMT2ANPC1
SCHEMBL9537264 0.81 GBA1 (0.46) LMNANPY1RKCNH2
SCHEMBL8232758 0.80 GRM2 (0.64) DDB1CRBNLMNAKMT2ADRD2
SCHEMBL4155525 0.80 KCNH2 (0.46) DDB1CRBNKMT2ANPY1RNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023006893-A1 COMPOUNDS FOR THE TREATMENT OF PAIN, IN PARTICULAR NEUROPATHIC PAIN, AND/OR OTHER DISEASES OR DISORDERS THAT ARE ASSOCIATED WITH AT2R AND/OR AT2R MEDIATED SIGNALING CONFO THERAPEUTICS N.V. (BE) 2023-02-02 WO disclosed
EP-0151826-B1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1993-03-31 EP disclosed
US-4839374-A TREATING ALLERGIES JANSSEN PHARMACEUTICA, N.V. (BE) 1989-06-13 US disclosed
EP-0151826-A1 4-[(Bicyclic heterocyclyl)-methyl and -hetero]-piperidines JANSSEN PHARMACEUTICA N.V. (BE) 1985-08-21 EP disclosed