SCHEMBL7749807

SCHEMBL7749807

O=C(N1CCNCC1c1ccccc1)N1CCNCC1c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.46
TAAR1 Q96RJ0 1/20 0.46
DPP4 P27487 1/20 0.46
DPP7 Q9UHL4 1/20 0.46
USP19 O94966 5/20 0.46
MAPK1 P28482 1/20 0.46
SLC18A3 Q16572 1/20 0.42
PRKCB P05771 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 2/20 0.42
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
SLC6A3 Q01959 1/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL20528485 0.90 DPP4 (0.46) RIPK1TAAR1DPP4DPP7USP19
SCHEMBL21801033 0.90 DPP4 (0.46) RIPK1TAAR1DPP4DPP7USP19
SCHEMBL2935422 0.90 DPP4 (0.46) RIPK1TAAR1DPP4DPP7USP19
Hydrochloric Acid SCHEMBL9258072 0.89 DPP4 (0.46) RIPK1TAAR1DPP4DPP7USP19
SCHEMBL2386164 0.87 DPP4 (0.47) RIPK1TAAR1DPP4DPP7USP19
SCHEMBL8496002 0.87 DPP4 (0.45) RIPK1TAAR1DPP4DPP7USP19
SCHEMBL1580100 0.87 POLB (0.54) RIPK1TAAR1DPP4DPP7USP19
SCHEMBL8595774 0.86 SIGMAR1 (0.53) RIPK1DPP4DPP7HTR2CSIGMAR1
Hydrochloric Acid SCHEMBL28773228 0.86 DPP4 (0.46) RIPK1TAAR1DPP4DPP7USP19
SCHEMBL7467909 0.85 DPP4 (0.54) TAAR1DPP4DPP7HTR2AHTR2C

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 7 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
US-5852022-A Antipsychotic agents, composition and method of use HOECHST ROUSSEL PHARMACEUTICALS INC. (US) 1998-12-22 US disclosed
EP-0833820-A1 BENZISOXAZOLE AND INDAZOLE DERIVATIVES AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1998-04-08 EP disclosed
US-5696113-A Antipsychotic agents, compositions and method of use HOECHST MARION ROUSSEL, INC. (US) 1997-12-09 US disclosed
WO-1996039397-A1 BENZISOXAZOLE AND INDAZOLE DERIVATIVES AS ANTIPSYCHOTIC AGENTS HOECHST MARION ROUSSEL, INC. (US) 1996-12-12 WO disclosed