SCHEMBL10894284

SCHEMBL10894284

CCCNC1=NN(c2nc3c(s2)CCCC3)C(C)C1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD3 P35462 4/20 0.33
▸ DRD2 P14416 3/20 0.33
▸ HRH2 P25021 2/20 0.33
▸ ADRA2A P08913 2/20 0.33
▸ DRD4 P21917 2/20 0.33
▸ ADRB2 P07550 1/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ ADRA2B P18089 1/20 0.33
▸ ADRA2C P18825 1/20 0.33
▸ HTR1B P28222 1/20 0.33
▸ HTR2A P28223 1/20 0.33
▸ HTR7 P34969 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ HRH1 P35367 1/20 0.33
▸ HTR2B P41595 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL10891246 0.81 GAA (0.40) NPC1RAB9ASMN1; SMN2TP53TSHR
Evandamine SCHEMBL6009808 0.76 APOBEC3A (0.42) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL13387645 0.76 PDK1 (0.36) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL10891333 0.75 TSHR (0.38) NPC1RAB9ASMN1; SMN2TP53TSHR
SCHEMBL10892079 0.72 SLC27A1 (0.35) NPC1RAB9ASMN1; SMN2TSHR
SCHEMBL2903952 0.69 RAB9A (0.50) NPC1RAB9ASMN1; SMN2MITFTP53
SCHEMBL10888852 0.68 ALDH1A1 (0.31) NPC1RAB9AMITFTP53
SCHEMBL10890832 0.67 NPC1 (0.37) NPC1RAB9ASMN1; SMN2MITFTP53
Hydrochloric Acid SCHEMBL10891755 0.66 NPC1 (0.36) ADRA2AADRA2BADRA2CNPC1RAB9A
SCHEMBL10891545 0.65 ALDH1A1 (0.36) NPC1RAB9ASMN1; SMN2TP53TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4600722-A 3-amino-1-(4,5,6,7-tetrahydro-benzothiazolyl)-2-pyrazolines and a process for the treatment of inflammatory or allergic processes in humans A. NATTERMANN & CIE GMBH (DE) 1986-07-15 — — US disclosed
EP-0155523-A1 3-Amino-1-(4,5,6,7-Tetrahydro-benzothiazolyl)-2-Pyrazolines,a process for their preparation and pharmaceutical products containing these compounds A. Nattermann & Cie. GmbH (DE) 1985-09-25 — — EP disclosed
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