SCHEMBL9778488

SCHEMBL9778488

CN1CCN(c2n[nH]c3ccc(Cl)cc23)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 13/20 0.53
CDC7 O00311 1/20 0.52
CNR1 P21554 2/20 0.48
MAPK13 O15264 1/20 0.48
MAPK12 P53778 1/20 0.48
MAPK11 Q15759 1/20 0.48
MAPK14 Q16539 1/20 0.48
JAK2 O60674 1/20 0.48
HTR3A P46098 4/20 0.47
CNR2 P34972 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL22860166 0.84 HRH4 (0.51) HRH4CDC7JAK2HTR3AMAPK1
SCHEMBL9778491 0.84 HTR2A (0.47) HRH4CNR1HTR3ACNR2
SCHEMBL4289522 0.82 HTT (0.55) HRH4CDC7JAK2MAPK1
SCHEMBL4785792 0.82 JAK2 (0.54) HRH4CDC7CNR1JAK2CNR2
SCHEMBL9778567 0.82 ALDH1A1 (0.56) HRH4CDC7JAK2HTR3AMAPK1
SCHEMBL17982403 0.82 MAPK1 (0.54) CDC7CNR1JAK2CNR2MAPK1
SCHEMBL9778391 0.82 CNR1 (0.46) HRH4CDC7CNR1CNR2MAPK1
Hydrochloric Acid SCHEMBL9778506 0.81 HTT (0.53) HRH4CDC7JAK2MAPK1
SCHEMBL9778418 0.80 LRRK2 (0.61) HRH4CDC7JAK2
SCHEMBL14208177 0.79 ALDH1A1 (0.48) HRH4CDC7CNR1JAK2MAPK1

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
US-5077405-A Condensation of corresponding phenylsulfonyl compound with condensation agent, cyanation, reduction HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-12-31 US disclosed
EP-0417653-A1 3-(1-Substituted-4-piperazinyl)-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-03-20 EP disclosed
US-4954503-A ANALGESIC, ANTIPSYCHOTIC AGENTS HOECHST-ROUSSEL PHARMACEUTICALS, INC. (US) 1990-09-04 US disclosed