SCHEMBL9825804

SCHEMBL9825804

C1=C(c2ccccc2)CCN(CCCCOc2cccc3cccnc23)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.53
RAB9A P51151 3/20 0.49
MAPT P10636 1/20 0.49
PARP1 P09874 1/20 0.48
NPC1 O15118 2/20 0.47
DRD4 P21917 2/20 0.47
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47
HTR1A P08908 2/20 0.46
SLC6A4 P31645 1/20 0.46
LMNA P02545 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9825799 0.79 SIGMAR1 (0.51) SIGMAR1PARP1DRD4DRD2DRD3
SCHEMBL9826050 0.79 KCNA3 (0.55) SIGMAR1PARP1DRD4DRD2DRD3
SCHEMBL2483050 0.79 TDP1 (0.64) RAB9AMAPTNPC1LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL9826723 0.78 KCNA3 (0.54) SIGMAR1PARP1DRD4DRD2DRD3
SCHEMBL2486394 0.78 HRH3 (0.64) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL2481096 0.76 KDM4E (0.53) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL9825205 0.75 HTR1A (0.68) MAPTDRD4DRD2DRD3HTR1A
SCHEMBL2485756 0.75 TDP1 (0.58) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL9826692 0.75 DRD2 (0.55) RAB9ANPC1DRD2DRD3HTR1A
SCHEMBL6162058 0.74 SIGMAR1 (0.60) SIGMAR1HTR1A

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-0237781-B1 PHENYL AND HETEROCYCLIC TETRAHYDROPYRIDYL AND PIPERAZINYL ALKOXY-BENZHETEROCYCLIC COMPOUNDS AS ANTIPSYCHOTIC AGENTS WARNER-LAMBERT COMPANY (US) 1991-04-24 EP claimed