SCHEMBL7753554

SCHEMBL7753554

O=C(CCCCCC1CCCCC1)Oc1ccc2c(N3CCN(CCCC(=O)c4ccc(F)cc4)CC3)noc2c1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.43
DRD4 P21917 6/20 0.43
SIGMAR1 Q99720 3/20 0.43
DRD3 P35462 4/20 0.42
HTR1A P08908 3/20 0.42
ADRA2C P18825 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HRH1 P35367 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
HTR7 P34969 2/20 0.40

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
SCHEMBL7753532 0.88 DRD2 (0.49) DRD2DRD4SIGMAR1DRD3HTR1A
SCHEMBL7749831 0.88 DRD2 (0.49) DRD2DRD4SIGMAR1DRD3HTR1A
SCHEMBL7753517 0.88 DRD2 (0.49) DRD2DRD4SIGMAR1DRD3HTR1A
SCHEMBL7754671 0.86 HTR1A (0.45) DRD2DRD4SIGMAR1DRD3HTR1A
SCHEMBL7753495 0.81 ALDH1A1 (0.55) DRD2DRD4SIGMAR1DRD3HTR1A
SCHEMBL7753550 0.80 DRD2 (0.44) DRD2DRD4SIGMAR1DRD3HTR1A
SCHEMBL7753518 0.79 DRD2 (0.44) DRD2DRD4SIGMAR1DRD3HTR1A
SCHEMBL7755951 0.78 DRD2 (0.47) DRD2DRD4SIGMAR1DRD3HTR2A
SCHEMBL7754653 0.78 DRD2 (0.47) DRD2DRD4SIGMAR1DRD3HTR2A
SCHEMBL7753506 0.78 DRD2 (0.47) DRD2DRD4SIGMAR1DRD3HTR2A

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-0833820-B1 BENZISOXAZOLE AND INDAZOLE DERIVATIVES AS ANTIPSYCHOTIC AGENTS AVENTIS PHARMA INC (US) 2001-02-14 EP disclosed
US-6008348-A TREATING A 1-TOSYLATED INDAZOL-3-YL PIPERAZINE DERIVATIVE WITH CONCENTRATED HYDROCHLORIC ACID TO PRODUCE THE DETOSYLATED INDAZOL-3-YL PIPERAZINE COMPOUND OF GIVEN FORMULA HOECHST MARION ROUSSEL, INC. (US) 1999-12-28 US disclosed
US-5965554-A PIPERAZINYLBENZISOXAZOLE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-12 US disclosed